SCHEMBL15617103

SCHEMBL15617103

CC(C)Oc1ccc(-c2nnc(Nc3nc4c(F)cccc4s3)o2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 7/20 0.81
PTPN7 P35236 2/20 0.81
PTPN2 P17706 1/20 0.81
PTPRR Q15256 1/20 0.81
DUSP22 Q9NRW4 1/20 0.81
PTPN22 Q9Y2R2 1/20 0.81
ALDH1A1 P00352 15/20 0.73
HPGD P15428 13/20 0.73
KDM4E B2RXH2 12/20 0.73
MEN1 O00255 11/20 0.73
KMT2A Q03164 11/20 0.73
MAPT P10636 11/20 0.73
LMNA P02545 10/20 0.73
HSD17B10 Q99714 9/20 0.73
TDP1 Q9NUW8 9/20 0.73
TP53 P04637 8/20 0.73
SMN1; SMN2 Q16637 8/20 0.73
NPC1 O15118 7/20 0.73
RAB9A P51151 7/20 0.73
POLB P06746 5/20 0.73

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
SCHEMBL15575767 0.90 DUSP3 (1.00) DUSP3PTPN7PTPN2PTPRRDUSP22
SCHEMBL15617087 0.87 ALDH1A1 (0.85) DUSP3PTPN7PTPN2PTPRRDUSP22
SCHEMBL15617153 0.86 ALDH1A1 (0.81) DUSP3PTPN7PTPN2PTPRRDUSP22
SCHEMBL15575504 0.86 ALDH1A1 (0.84) DUSP3PTPN7PTPN2PTPRRDUSP22
SCHEMBL15617120 0.86 DUSP3 (0.78) DUSP3PTPN7PTPN2PTPRRDUSP22
SCHEMBL15575499 0.85 ALDH1A1 (1.00) DUSP3PTPN7PTPN2PTPRRDUSP22
SCHEMBL15617092 0.84 ALDH1A1 (0.81) DUSP3PTPN7PTPN2PTPRRDUSP22
SCHEMBL15617109 0.84 ALDH1A1 (0.81) DUSP3PTPN7PTPN2PTPRRDUSP22
SCHEMBL15617118 0.83 ALDH1A1 (0.76) DUSP3PTPN7PTPN2PTPRRDUSP22
SCHEMBL15617106 0.82 ALDH1A1 (0.78) DUSP3PTPN7PTPN2PTPRRDUSP22

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 DUSP3 2676/4885PTPN7 3695/4885PTPN2 3082/4885
US-20180127407-A1 Benzothiazole Or Benzoxazole Compounds As Sumo Activators SUMO2, UBA2, SUMO1 DUSP3 2676/4885PTPN7 3695/4885PTPN2 3082/4885

“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.