SCHEMBL6886083

SCHEMBL6886083

C=C(C(=O)NCC)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
TGM2 P21980 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
EPHX1 P07099 1/20 0.35
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
FAAH O00519 9/20 0.31
MCL1 Q07820 1/20 0.31
CES1 P23141 5/20 0.30
CES2 O00748 2/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL9070661 0.83 MMP1 (0.42) MMP1MMP2MMP3MMP9TGM2
SCHEMBL14153656 0.79 MMP1 (0.39) MMP1MMP2MMP3MMP9MMP8
SCHEMBL9004537 0.78 TGM2 (0.38) TGM2ALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL14795033 0.78 TGM2 (0.36) TGM2EPHX1SMN1; SMN2HSD17B10
SCHEMBL18469783 0.77 CYP2D6 (0.45) MMP1MMP8TGM2EPHX1ALDH1A1
SCHEMBL14489324 0.77 TGM2 (0.35) TGM2ALDH1A1POLBSMN1; SMN2
SCHEMBL18431752 0.77 EPHX1 (0.62) EPHX1KMT2AMEN1FAAHCES1
SCHEMBL15226520 0.76 EGLN1 (0.43) TGM2ALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL10005742 0.73 CA2 (0.32) MMP2MMP3MMP8TGM2
SCHEMBL20852760 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024092011-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2024-05-02 WO disclosed
US-20230242548-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-08-03 US disclosed
US-20230242548-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-08-03 US disclosed
WO-2023009785-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2023-02-02 WO disclosed
EP-4006035-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER Neupharma, Inc. (US) 2022-06-01 EP disclosed
EP-3943087-A1 HETEROARYL COMPOUNDS AND USES THEREOF Celgene CAR LLC (BM) 2022-01-26 EP disclosed
EP-2968337-B1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE CAR LLC (BM) 2021-07-21 EP disclosed
EP-2953457-B1 ERK INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2020-04-08 EP disclosed
EP-3549934-A1 HETEROARYL COMPOUNDS AND USES THEREOF Celgene CAR LLC (BM) 2019-10-09 EP disclosed
US-10023588-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-07-17 US disclosed
US-20130137709-A1 Compounds that modulate EGFR activity and methods for treating or preventing conditions therewith Gatekeeper Pharmaceuticals, Inc. 2013-05-30 US disclosed
US-8445498-B2 4,6-disubstituted pyrimidines useful as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2013-05-21 US disclosed
WO-2012122383-A2 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-09-13 WO disclosed
WO-2011090760-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-07-28 WO disclosed
WO-2011031896-A2 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-03-17 WO disclosed
WO-2011002808-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-01-06 WO disclosed
US-20100185419-A1 ALGORITHM FOR DESIGNING IRREVERSIBLE INHIBITORS AVILA THERAPEUTICS, INC. (US) 2010-07-22 US disclosed
WO-2009158571-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS AND USES THEREOF (US) 2009-12-30 WO disclosed
WO-2009082697-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-07-02 WO disclosed
WO-2008151183-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2008-12-11 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 (4 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-20130137709-A1 Compounds that modulate EGFR activity and methods for treating or preventing conditions therewith EGFR, ERBB2, BRCA1 MMP1 2355/4885MMP2 1282/4885MMP3 818/4885
US-10023588-B2 Compositions and methods for treating cancer KRAS, HRAS, NRAS MMP1 2529/4885MMP2 1164/4885MMP3 2017/4885
US-20100185419-A1 ALGORITHM FOR DESIGNING IRREVERSIBLE INHIBITORS CDKN1A, SERPINB1, SPR MMP1 2497/4885MMP2 1884/4885MMP3 2785/4885
US-20230242548-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS MMP1 2529/4885MMP2 1164/4885MMP3 2017/4885

“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.