SCHEMBL7513541

SCHEMBL7513541

Cc1ccc(S(=O)(=O)n2c(C)c(I)c3cc(Br)cnc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.43
ENPP3 O14638 1/20 0.42
ENPP1 P22413 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.39
ALDH3A1 P30838 2/20 0.39
NOD1 Q9Y239 2/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
GAA P10253 2/20 0.37
PKM P14618 1/20 0.36
LATS1 O95835 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.35

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
SCHEMBL15154929 0.90 PTGDR2 (0.45) PTGDR2ENPP3ENPP1GAALATS1
SCHEMBL30280480 0.88 ENPP3 (0.41) PTGDR2ENPP3ENPP1L3MBTL1ALDH3A1
SCHEMBL30280475 0.88 ENPP3 (0.41) PTGDR2ENPP3ENPP1L3MBTL1ALDH3A1
SCHEMBL30280403 0.86 ENPP3 (0.40) PTGDR2ENPP3ENPP1L3MBTL1ALDH3A1
SCHEMBL30280425 0.85 ENPP3 (0.39) PTGDR2ENPP3ENPP1L3MBTL1ALDH3A1
SCHEMBL20502619 0.85 AGTR1 (0.42) PTGDR2ENPP3ENPP1L3MBTL1ALDH3A1
SCHEMBL30280408 0.83 ENPP3 (0.38) PTGDR2ENPP3ENPP1L3MBTL1ALDH3A1
SCHEMBL30280419 0.81 KDM4E (0.37) PTGDR2ENPP3ENPP1L3MBTL1ALDH3A1
SCHEMBL13199781 0.81 GAA (0.46) PTGDR2ENPP3ENPP1GAAALDH1A1
SCHEMBL25262262 0.80 ENPP3 (0.42) PTGDR2ENPP3ENPP1L3MBTL1ALDH3A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240425499-A1 TYRO3 INHIBITORS HALIA THERAPEUTICS INC (US) 2024-12-26 US disclosed
US-12157741-B2 Macrocyclic inhibitors of DYRK1A DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-12-03 US disclosed
EP-3883573-B1 MACROCYCLIC INHIBITORS OF DYRK1A DANA FARBER CANCER INST INC (US) 2024-07-31 EP disclosed
WO-2023064218-A1 TYRO3 INHIBITORS Halia Therapeutics, Inc. (US) 2023-04-20 WO disclosed
US-20220112201-A1 MACROCYCLIC INHIBITORS OF DYRK1A DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-04-14 US disclosed
EP-3883573-A1 MACROCYCLIC INHIBITORS OF DYRK1A Dana-Farber Cancer Institute, Inc. (US) 2021-09-29 EP disclosed
CN-113164475-A Macrocyclic inhibitors of DYRK1A 达纳-法伯癌症研究公司 2021-07-23 CN disclosed
EP-2925319-B1 MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES UNIV ROCHESTER (US) 2019-01-09 EP disclosed
EP-2925319-B1 MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES UNIV ROCHESTER (US) 2019-01-09 EP disclosed
US-20150297587-A1 MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-22 US disclosed
US-8846909-B2 Bicyclic heteroaryl kinase inhibitors and methods of use UNIVERSITY OF ROCHESTER (US) 2014-09-30 US disclosed
US-8846909-B2 Bicyclic heteroaryl kinase inhibitors and methods of use UNIVERSITY OF ROCHESTER (US) 2014-09-30 US disclosed
WO-2014085795-A1 MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES UNIVERSITY OF ROCHESTER (US) 2014-06-05 WO disclosed
WO-2014085795-A1 MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES UNIVERSITY OF ROCHESTER (US) 2014-06-05 WO disclosed
US-20130203755-A1 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2013-08-08 US disclosed
US-20130203755-A1 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2013-08-08 US disclosed
US-20130203755-A1 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2013-08-08 US disclosed
EP-2576549-A2 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE University of Rochester (US) 2013-04-10 EP disclosed
WO-2011149950-A2 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2011-12-01 WO disclosed
WO-2011149950-A2 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2011-12-01 WO 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 (5 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-20150297587-A1 MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES MLKL, MARCKS, MAP3K4 PTGDR2 4855/4885ENPP3 1565/4885ENPP1 1862/4885
US-20220112201-A1 MACROCYCLIC INHIBITORS OF DYRK1A RET, DYRK1A, DYRK1B PTGDR2 2602/4885ENPP3 1700/4885ENPP1 1607/4885
US-20240425499-A1 TYRO3 INHIBITORS TYRO3, TYR, TH PTGDR2 2791/4885ENPP3 1096/4885ENPP1 1738/4885
US-12157741-B2 Macrocyclic inhibitors of DYRK1A RET, DYRK1A, DYRK1B PTGDR2 2602/4885ENPP3 1700/4885ENPP1 1607/4885
US-20130203755-A1 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE MAP2K2, MAP2K7, CHKB PTGDR2 1896/4885ENPP3 1081/4885ENPP1 958/4885

“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.