SCHEMBL847191

SCHEMBL847191

Cc1cccc(C(C(=O)O)N(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.47
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
AOC3 Q16853 1/20 0.41
OPRM1 P35372 2/20 0.40
OPRD1 P41143 1/20 0.40
CYP26A1 O43174 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
PARP1 P09874 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL18920447 1.00 ACP3 (0.47) ACP3ALDH1A1GAAAOC3OPRM1
SCHEMBL18946106 1.00 ACP3 (0.47) ACP3ALDH1A1GAAAOC3OPRM1
SCHEMBL15565601 0.86 ACP3 (0.44) ACP3ALDH1A1GAAAOC3OPRM1
SCHEMBL888839 0.83 ACP3 (0.41) ACP3ALDH1A1GAAAOC3OPRM1
SCHEMBL10120515 0.81 ACP3 (0.41) ACP3ALDH1A1GAAAOC3OPRM1
SCHEMBL755740 0.81 MEN1 (0.48) OPRM1
SCHEMBL4218060 0.81 ALDH1A1 (0.44) ALDH1A1GAAPARP1
SCHEMBL755746 0.81 ALDH1A1 (0.50) ACP3ALDH1A1GAAAOC3
SCHEMBL10540988 0.81 ALDH1A1 (0.51) ALDH1A1GAA
SCHEMBL222001 0.81 ALDH1A1 (0.51) ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108349965-B 1,3, 4-thiadiazole compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2021-10-26 CN disclosed
EP-3383872-B1 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER CANCER RESEARCH TECH LTD (GB) 2020-05-20 EP disclosed
EP-3383872-B1 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER CANCER RESEARCH TECH LTD (GB) 2020-05-20 EP disclosed
EP-3383872-A1 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER Astrazeneca AB (SE) 2018-10-10 EP disclosed
US-10040789-B2 1,3,4-thiadiazole compounds and their use in treating cancer ASTRAZENECA AB (SE) 2018-08-07 US disclosed
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170333429-A1 1,3,4-Thiadiazole Compounds and Their Use in Treating Cancer ASTRAZENECA AB (SE) 2017-11-23 US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
US-9776981-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-8143414-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 US disclosed
US-20110286961-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-24 US disclosed
US-20110281910-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-17 US disclosed
US-20110274648-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-10 US disclosed
US-20110269956-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-03 US disclosed
US-20110237636-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-09-29 US disclosed
US-20110195044-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
US-20110130433-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-06-02 US disclosed
US-20110098327-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-04-28 US 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 (13 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-20110237636-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS ACP3 2873/4885ALDH1A1 2120/4885GAA 327/4885
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR HAVCR2, LIPC, PYGL ACP3 1110/4885ALDH1A1 1107/4885GAA 226/4885
US-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 ACP3 2472/4885ALDH1A1 3778/4885GAA 777/4885
US-20110286961-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ACP3 956/4885ALDH1A1 1144/4885GAA 223/4885
US-20110281910-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS ACP3 2627/4885ALDH1A1 2265/4885GAA 354/4885
US-20170333429-A1 1,3,4-Thiadiazole Compounds and Their Use in Treating Cancer GLS2, GLS, GLRX3 ACP3 2218/4885ALDH1A1 290/4885GAA 886/4885
US-20110195044-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ACP3 956/4885ALDH1A1 1144/4885GAA 223/4885
US-10040789-B2 1,3,4-thiadiazole compounds and their use in treating cancer GLS2, GLS, GLRX3 ACP3 2218/4885ALDH1A1 290/4885GAA 886/4885
US-20110269956-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, MAVS ACP3 1257/4885ALDH1A1 1627/4885GAA 1070/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS ACP3 956/4885ALDH1A1 1144/4885GAA 223/4885
US-20110130433-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS ACP3 2873/4885ALDH1A1 2120/4885GAA 327/4885
US-20110098327-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS ACP3 2546/4885ALDH1A1 2177/4885GAA 307/4885
US-20110274648-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ACP3 956/4885ALDH1A1 1144/4885GAA 223/4885

“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.