SCHEMBL15617089

SCHEMBL15617089

COc1cccc2sc(Nc3nnc(-c4ccc(OC(F)(F)F)cc4)o3)nc12

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.81
KDM4E B2RXH2 10/20 0.81
MAPT P10636 10/20 0.81
HPGD P15428 9/20 0.81
HSD17B10 Q99714 9/20 0.81
DUSP3 P51452 8/20 0.81
TP53 P04637 8/20 0.81
POLB P06746 5/20 0.81
HTT P42858 4/20 0.81
PTPN7 P35236 2/20 0.81
TSHR P16473 1/20 0.81
BLM P54132 1/20 0.81
PTK2B Q14289 1/20 0.81
EIF4H Q15056 1/20 0.81
MEN1 O00255 9/20 0.78
KMT2A Q03164 9/20 0.78
TDP1 Q9NUW8 8/20 0.78
LMNA P02545 7/20 0.78
ESR1 P03372 1/20 0.78
PTPN2 P17706 1/20 0.68

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
SCHEMBL15575996 0.90 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL30065644 0.88 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL15575443 0.88 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL15617120 0.87 DUSP3 (0.78) ALDH1A1KDM4EMAPTHPGDHSD17B10
Hydrochloric Acid SCHEMBL29921361 0.87 ALDH1A1 (0.98) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL15617087 0.86 ALDH1A1 (0.85) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL15617100 0.86 ALDH1A1 (0.84) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL15617156 0.85 ALDH1A1 (0.79) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL15617091 0.85 ALDH1A1 (0.82) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL20660703 0.85 ALDH1A1 (0.82) ALDH1A1KDM4EMAPTHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2890379-B1 BENZOTHIAZOLE OR BENZOXAZOLE COMPOUNDS AS SUMO ACTIVATORS ICAHN SCHOOL MED MOUNT SINAI (US) 2019-04-03 EP disclosed
US-20180127407-A1 Benzothiazole Or Benzoxazole Compounds As Sumo Activators ICAHN SCHOOL MED MOUNT SINAI (US) 2018-05-10 US disclosed
US-9845320-B2 Benzothiazole or benzoxazole compounds as sumo activators ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2017-12-19 US disclosed
US-20150218148-A1 Benzothiazole Or Benzoxazole Compounds As Sumo Activators ICAHN SCHOOL MED MOUNT SINAI (US) 2015-08-06 US disclosed
WO-2014036242-A2 BENZOTHIAZOLE OR BENZOXAZOLE COMPOUNDS AS SUMO ACTIVATORS MOUNT SINAI SCHOOL OF MEDICINE (US) 2014-03-06 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 (2 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-20150218148-A1 Benzothiazole Or Benzoxazole Compounds As Sumo Activators SUMO2, UBA2, SUMO1 ALDH1A1 3054/4885KDM4E 1851/4885MAPT 1545/4885
US-20180127407-A1 Benzothiazole Or Benzoxazole Compounds As Sumo Activators SUMO2, UBA2, SUMO1 ALDH1A1 3054/4885KDM4E 1851/4885MAPT 1545/4885

“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.