SCHEMBL13748344

SCHEMBL13748344

COC(=O)c1cc(C)sc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
CNR2 P34972 1/20 0.47
RXFP1 Q9HBX9 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 4/20 0.44
LMNA P02545 4/20 0.44
REV1 Q9UBZ9 1/20 0.43
MAPT P10636 4/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
PDK2 Q15119 1/20 0.41
PDK4 Q16654 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40

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
SCHEMBL168008 0.80 MAPT (0.40) SMN1; SMN2NPSR1KDM4ELMNAMAPT
SCHEMBL25467797 0.80 SMN1; SMN2 (0.47) SMN1; SMN2CNR2RXFP1NPSR1KDM4E
SCHEMBL17398205 0.80 SMN1; SMN2 (0.47) SMN1; SMN2CNR2RXFP1NPSR1KDM4E
SCHEMBL167136 0.80 MAPT (0.44) SMN1; SMN2KDM4EMAPTCA12CA1
SCHEMBL2181959 0.80 ALDH1A1 (0.57) SMN1; SMN2CNR2RXFP1NPSR1KDM4E
Hydrochloric Acid SCHEMBL10734949 0.79 ALDH1A1 (0.55) SMN1; SMN2CNR2RXFP1NPSR1KDM4E
SCHEMBL11848005 0.78 ALDH1A1 (0.44) NPSR1KDM4ELMNAMAPTNPC1
SCHEMBL2996683 0.78 ALDH1A1 (0.44) SMN1; SMN2RXFP1NPSR1KDM4ELMNA
SCHEMBL167135 0.77 RAF1 (0.45) MAPT
SCHEMBL13751040 0.77 RXFP1 (0.45) SMN1; SMN2CNR2RXFP1NPSR1KDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116529238-A Novel prostaglandin E 2 Compounds with receptor inhibiting activity and uses thereof 治纳辅医药科技有限公司 2023-08-01 CN disclosed
WO-2020249664-A1 SULFONYLUREA DERIVATIVES AND USES THEREOF NodThera Limited (GB) 2020-12-17 WO disclosed
US-20130231322-A1 THERAPEUTIC SUBSTITUTED BETA-LACTAMS ALLERGAN, INC. (US) 2013-09-05 US disclosed
US-8440819-B2 Therapeutic substituted beta-lactams ALLERGAN, INC. (US) 2013-05-14 US disclosed
WO-2009105440-A1 BETA-LACTAMS FOR REDUCING INTRAOCULAR PRESSURE ALLERGAN, INC. (US) 2009-08-27 WO disclosed
US-7533978-B2 Color composition and inkjet recording method FUJIFILM CORPORATION (JP) 2009-05-19 US disclosed
US-7533978-B2 Color composition and inkjet recording method FUJIFILM CORPORATION (JP) 2009-05-19 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 (1 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-20130231322-A1 THERAPEUTIC SUBSTITUTED BETA-LACTAMS TUBB, GANAB, TUBB6 SMN1; SMN2 2157/4885CNR2 2377/4885RXFP1 4714/4885

“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.