SCHEMBL10726742

SCHEMBL10726742

COc1ccc(S)c(Cl)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.40
▸ S1PR4 O95977 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ G6PD P11413 1/20 0.40
▸ S1PR1 P21453 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CACNA1B Q00975 1/20 0.40
▸ APBA1 Q02410 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40
▸ TLR9 Q9NR96 1/20 0.40
▸ ALDH1A1 P00352 9/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 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
SCHEMBL14339474 0.84 KDM4E (0.50) KDM4ES1PR4HSP90AA1MAPTG6PD
SCHEMBL20431234 0.82 AMY1A (0.39) KDM4ES1PR4HSP90AA1MAPTG6PD
SCHEMBL10731275 0.79 CA1 (0.46) KDM4EMAPTMAPK1ALDH1A1LMNA
SCHEMBL6865460 0.76 NQO2 (0.41) KDM4ES1PR4HSP90AA1MAPTG6PD
SCHEMBL11137781 0.76 GAA (0.35) KDM4ES1PR4HSP90AA1MAPTG6PD
SCHEMBL11153759 0.76 TSHR (0.39) KDM4EMAPTMAPK1RAB9AALDH1A1
SCHEMBL53547 0.75 ALDH1A1 (0.46) KDM4ES1PR4HSP90AA1MAPTG6PD
SCHEMBL30715275 0.75 ALDH1A1 (0.46) KDM4ES1PR4HSP90AA1MAPTG6PD
SCHEMBL3292383 0.73 MAPT (0.41) KDM4ES1PR4HSP90AA1MAPTG6PD
Hydrochloric Acid SCHEMBL11303156 0.71 ALDH1A1 (0.43) KDM4ES1PR4HSP90AA1MAPTG6PD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112110-A1 ANTIPROLIFERATIVE COMPOUNDS AND THERAPEUTIC USES THEREOF UNIVERSITA' DEGLISTUDI DI MILANO- BICOCCA (IT) 2011-05-12 — — US disclosed
US-4672138-A INTERMEDIATES FOR BENZO (B) THIOPHENES; HYPOTENSIVE AGENTS, DIURETICS HOECHST ROUSSEL PHARMACEUTICALS INC. (US) 1987-06-09 — — US disclosed
EP-0050326-B1 BENZO(B)THIOPHENES HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1986-01-29 — — EP disclosed
EP-0155981-A2 Derivatives of alkoxythiophenol; alkoxyphenolthio carbamates HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1985-10-02 — — EP disclosed
US-4537976-A Benzo[b]thiophenes HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1985-08-27 — — US disclosed
US-4528399-A Benzo[b]thiophenes intermediates HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1985-07-09 — — US disclosed
US-4436748-A HYPOTENSIVES, DIURETICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1984-03-13 — — US disclosed
US-4389416-A DIURETICS ABBOTT LABORATORIES (US) 1983-06-21 — — US disclosed
EP-0050326-A2 Benzo(b)thiophenes HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1982-04-28 — — EP 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-20110112110-A1 ANTIPROLIFERATIVE COMPOUNDS AND THERAPEUTIC USES THEREOF ABL1, MKI67, BCR KDM4E 2473/4885S1PR4 3476/4885HSP90AA1 512/4885

“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.

Send feedback