SCHEMBL376161

SCHEMBL376161

Cc1cccc(-c2nc(C34CCC(C(N)=O)(CC3)CC4)[nH]c2-c2ccc3c(c2)OCO3)n1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 19/20 0.86
MAPK14 Q16539 2/20 0.49
RIPK2 O43353 2/20 0.49
ACVR1B P36896 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
KDM4E B2RXH2 1/20 0.41
PRKD3 O94806 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
TGFBR2 P37173 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CSNK1D P48730 1/20 0.41
CSNK1E P49674 1/20 0.41
RPS6KA1 Q15418 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30194941 1.00 TGFBR1 (0.86) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL29504100 0.93 TGFBR1 (1.00) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL4339710 0.93 TGFBR1 (1.00) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL375627 0.92 TGFBR1 (0.73) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL15678349 0.92 TGFBR1 (0.73) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL4347711 0.89 TGFBR1 (0.70) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL4337372 0.89 TGFBR1 (0.69) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL375120 0.89 TGFBR1 (0.69) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL19442173 0.85 TGFBR1 (0.64) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL18604427 0.85 TGFBR1 (0.62) TGFBR1MAPK14RIPK2ACVR1BTDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160310645-A1 Compositions and Methods for Treating and Preventing Neointimal Stenosis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-10-27 US claimed
US-9446175-B2 Compositions and methods for treating and preventing neointimal stenosis YALE UNIVERSITY (US) 2016-09-20 US claimed
US-20140348889-A1 Compositions and Methods for Treating and Preventing Neointimal Stenosis YALE UNIVERSITY (US) 2014-11-27 US claimed
US-8871744-B2 Compounds and methods for selectively targeting tumor-associated mucins B & G Partyers, LLC (US) 2014-10-28 US claimed
US-20240124842-A1 CELL PREPARATION METHOD KYOTO PREFECTURAL PUBLIC UNIVERSITY CORPORATION (JP) 2024-04-18 US disclosed
US-20240084258-A1 METHOD FOR PREPARING BROWN ADIPOCYTE KYOTO PREFECTURAL PUBLIC UNIVERSITY CORPORATION (JP) 2024-03-14 US disclosed
US-11857575-B2 Mesenchymal stem cell-derived exosomes and their uses TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-01-02 US disclosed
US-11857575-B2 Mesenchymal stem cell-derived exosomes and their uses TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-01-02 US disclosed
US-11851681-B2 Cell preparation method KYOTO PREFECTURAL PUBLIC UNIVERSITY CORPORATION (JP) 2023-12-26 US disclosed
US-11401510-B2 Generation of airway basal stem cells from human pluripotent stem cells TRUSTEES OF BOSTON UNIVERSITY (US) 2022-08-02 US disclosed
US-20220177978-A1 METHODS OF PREDICTING AND PREVENTING CANCER IN PATIENTS HAVING PREMALIGNANT LESIONS TRUSTEES OF BOSTON UNIVERSITY 2022-06-09 US disclosed
EP-3947737-A2 METHODS OF PREDICTING AND PREVENTING CANCER IN PATIENTS HAVING PREMALIGNANT LESIONS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2022-02-09 EP disclosed
US-20140328860-A1 METHODS FOR STIMULATING HEMATOPOIETIC RECOVERY BY INHIBITING TGF BETA SIGNALING CORNELL UNIVERSITY (US) 2014-11-06 US disclosed
US-8871744-B2 Compounds and methods for selectively targeting tumor-associated mucins B & G Partyers, LLC (US) 2014-10-28 US disclosed
US-20140127228-A1 INHIBITION OF TGFBETA SIGNALING TO IMPROVE MUSCLE FUNCTION IN CANCER Indiana University School of Medicine (US) 2014-05-08 US disclosed
US-20140128349-A1 ADMINISTERING INHIBITORS OF TGFBETA SIGNALING IN COMBINATION WITH BENZOTHIAZEPINE DERIVATIVES TO IMPROVE MUSCLE FUNCTION IN CANCER PATIENTS Indiana University School of Medicine (US) 2014-05-08 US disclosed
US-20140128349-A1 ADMINISTERING INHIBITORS OF TGFBETA SIGNALING IN COMBINATION WITH BENZOTHIAZEPINE DERIVATIVES TO IMPROVE MUSCLE FUNCTION IN CANCER PATIENTS Indiana University School of Medicine (US) 2014-05-08 US disclosed
US-20140127228-A1 INHIBITION OF TGFBETA SIGNALING TO IMPROVE MUSCLE FUNCTION IN CANCER Indiana University School of Medicine (US) 2014-05-08 US disclosed
US-20120022016-A1 Compounds and methods for selectively targeting tumor-associated mucins B&G PARTNERS, LLC 2012-01-26 US disclosed
EP-2409708-A1 Compounds and methods for selectively targeting tumor-associated mucins B & G Partners, LLC (US) 2012-01-25 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140127228-A1 INHIBITION OF TGFBETA SIGNALING TO IMPROVE MUSCLE FUNCTION IN CANCER MUSK, TGFBR1, TGFBR2 TGFBR1 2/4885MAPK14 1509/4885RIPK2 1532/4885
US-11857575-B2 Mesenchymal stem cell-derived exosomes and their uses EXOSC9, EXOSC5, EXOSC10 TGFBR1 2539/4885MAPK14 3026/4885RIPK2 798/4885
US-20240084258-A1 METHOD FOR PREPARING BROWN ADIPOCYTE FABP4, MAPK1, MAP3K1 TGFBR1 304/4885MAPK14 40/4885RIPK2 1254/4885
US-20120022016-A1 Compounds and methods for selectively targeting tumor-associated mucins MUC1, NEU4, ALK TGFBR1 1324/4885MAPK14 2025/4885RIPK2 2625/4885
US-20140328860-A1 METHODS FOR STIMULATING HEMATOPOIETIC RECOVERY BY INHIBITING TGF BETA SIGNALING HCLS1, MCL1, CSF3R TGFBR1 8/4885MAPK14 487/4885RIPK2 2195/4885
US-20140128349-A1 ADMINISTERING INHIBITORS OF TGFBETA SIGNALING IN COMBINATION WITH BENZOTHIAZEPINE DERIVATIVES TO IMPROVE MUSCLE FUNCTION IN CANCER PATIENTS TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885MAPK14 1802/4885RIPK2 1516/4885
US-11401510-B2 Generation of airway basal stem cells from human pluripotent stem cells KRT18, CFTR, MCOLN3 TGFBR1 591/4885MAPK14 4703/4885RIPK2 4557/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.