SCHEMBL2073317

SCHEMBL2073317

COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 5/20 0.46
CSF1R P07333 1/20 0.45
ALDH1A1 P00352 4/20 0.40
HTT P42858 2/20 0.40
HPGD P15428 1/20 0.40
PKM P14618 1/20 0.40
EPHX1 P07099 1/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
AHR P35869 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LPL P06858 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
DGAT1 O75907 1/20 0.39
GLA P06280 1/20 0.38

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
SCHEMBL16907820 0.89 HTT (0.52) HIF1ACSF1RALDH1A1HTTHPGD
SCHEMBL1743265 0.89 HSD17B1 (0.47) HIF1ACSF1RALDH1A1HTTPKM
SCHEMBL21198240 0.87 HIF1A (0.42) HIF1ACSF1RALDH1A1HTTPKM
SCHEMBL18216864 0.86 HIF1A (0.48) HIF1ACSF1RALDH1A1HTTNPC1
SCHEMBL21202188 0.86 HTT (0.59) HIF1AALDH1A1HTTHPGDNPC1
SCHEMBL21198519 0.85 GAA (0.41) HIF1ACSF1RALDH1A1HTTPKM
SCHEMBL14053701 0.84 HIF1A (0.50) HIF1ALPLLIPG
SCHEMBL20132625 0.84 GAA (0.48) HIF1AALDH1A1HTTHPGDPKM
SCHEMBL4523141 0.84 KMT2A (0.47) HIF1AALDH1A1HTTPKMGAA
SCHEMBL2323198 0.84 AAK1 (0.42) HIF1ACSF1RALDH1A1HTTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10300058-B2 Tyrosine kinase inhibitor and uses thereof Xuanzhu Pharma Co., Ltd. (CN) 2019-05-28 US disclosed
EP-2675794-B1 SELECTIVE FAK INHIBITORS CANCER THERAPEUTICS CRC PTY LTD (AU) 2019-02-13 EP disclosed
US-10173991-B2 Sulfone amide linked benzothiazole inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-08 US disclosed
EP-2878601-B1 AGENT FOR TREATING OR CONTROLLING RECURRENCE OF ACUTE MYELOGENOUS LEUKEMIA RIKEN (JP) 2018-03-28 EP disclosed
US-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-04-27 US disclosed
US-9604988-B2 Agent for treating or inhibiting recurrence of acute myeloid leukemia RIKEN (JP) 2017-03-28 US disclosed
US-20160326125-A1 SULFONE AMIDE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL MYERS SQUIBB CO (US) 2016-11-10 US disclosed
US-9120761-B2 Selective FAK inhibitors CANCER THERAPEUTICS CRC PTY LTD (AU) 2015-09-01 US disclosed
US-20150210698-A1 AGENT FOR TREATING OR INHIBITING RECURRENCE OF ACUTE MYELOID LEUKEMIA RIKEN (JP) 2015-07-30 US disclosed
WO-2015105749-A1 SULFONE AMIDE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-16 WO disclosed
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 US disclosed
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis BAYER HEALTHCARE LLC 2010-03-11 US disclosed
EP-1114052-B1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS ABBOTT GMBH & CO KG (DE) 2005-11-16 EP disclosed
US-6713474-B2 SERINE-THREONINE AND TYROSINE KINASE INHIBITORS ABBOTT GMBH & CO. KG (DE) 2004-03-30 US disclosed
US-20030187001-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2003-10-02 US disclosed
US-20030153752-A1 Pyrrolopyrimidines as therapeutic agents ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2003-08-14 US disclosed
WO-2001072751-A1 PYRROLOPYRIMIDINES AS TYROSINE KINASE INHIBITORS KNOLL GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2001-10-04 WO disclosed
EP-1114053-A1 PYRROLOPYRIMIDINES AS PROTEIN KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-07-11 EP disclosed
WO-2000017203-A1 PYRROLOPYRIMIDINES AS PROTEIN KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-03-30 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 (9 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-20030153752-A1 Pyrrolopyrimidines as therapeutic agents FLT1, FLT4, TFPI HIF1A 1036/4885CSF1R 234/4885ALDH1A1 1374/4885
US-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof EGFR, ERBB2, ABL1 HIF1A 3996/4885CSF1R 1036/4885ALDH1A1 2257/4885
US-10173991-B2 Sulfone amide linked benzothiazole inhibitors of endothelial lipase LIPG, LIPE, LPL HIF1A 3830/4885CSF1R 1141/4885ALDH1A1 426/4885
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis CDK4, CDKL4, MKI67 HIF1A 132/4885CSF1R 1375/4885ALDH1A1 3327/4885
US-10300058-B2 Tyrosine kinase inhibitor and uses thereof EGFR, ERBB2, ABL1 HIF1A 3996/4885CSF1R 1036/4885ALDH1A1 2257/4885
US-20030187001-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS LCK, PPP5C, DUSP1 HIF1A 1170/4885CSF1R 1016/4885ALDH1A1 1059/4885
US-20150210698-A1 AGENT FOR TREATING OR INHIBITING RECURRENCE OF ACUTE MYELOID LEUKEMIA MCL1, BCOR, RUNX1 HIF1A 342/4885CSF1R 117/4885ALDH1A1 439/4885
US-20160326125-A1 SULFONE AMIDE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, LIPE, LPL HIF1A 3830/4885CSF1R 1141/4885ALDH1A1 426/4885
US-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS HIF1A 2173/4885CSF1R 2959/4885ALDH1A1 649/4885

“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.