SCHEMBL72902

SCHEMBL72902

CC(C(=O)O)c1ccc2sc3nc(-c4ccc([N+](=O)[O-])cc4)cn3c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.47
AKR1C2 P52895 4/20 0.47
F2RL3 Q96RI0 1/20 0.43
MBD2 Q9UBB5 1/20 0.43
LMNA P02545 4/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
THRB P10828 1/20 0.39
APP P05067 1/20 0.39
PHGDH O43175 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38

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
SCHEMBL72901 0.93 AKR1C3 (0.47) AKR1C3AKR1C2F2RL3MBD2LMNA
SCHEMBL73436 0.82 F2RL3 (0.46) F2RL3MBD2LMNATP53MAPT
SCHEMBL74474 0.80 F2RL3 (0.42) F2RL3MBD2LMNATP53MAPT
SCHEMBL774164 0.79 TP53 (0.57) F2RL3MBD2LMNATP53MAPT
Bromide SCHEMBL3863602 0.79 LMNA (0.50) F2RL3MBD2LMNATP53MAPT
SCHEMBL14875121 0.79 F2RL3 (0.46) F2RL3MBD2LMNATP53MAPT
SCHEMBL13539252 0.78 LMNA (0.53) F2RL3MBD2LMNATP53MAPT
SCHEMBL73435 0.78 FLT3 (0.52) F2RL3MBD2LMNATP53MAPT
SCHEMBL73916 0.77 MBD2 (0.58) F2RL3MBD2LMNATP53MAPT
SCHEMBL29924814 0.76 LMNA (0.49) LMNATP53MAPTTSHRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921546-B2 Imidazolothiazole compounds for the treatment of disease AMBIT BIOSCIENCES CORPORATION (US) 2014-12-30 US disclosed
US-20140243525-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE AMBIT BIOSCIENCES CORPORATION (US) 2014-08-28 US disclosed
US-8557810-B2 Imidazolothiazole compounds for the treatment of disease AMBIT BIOSCIENCES CORPORATION (US) 2013-10-15 US disclosed
US-20120129850-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE AMBIT BIOSCIENCES CORPORATION 2012-05-24 US disclosed
US-8129374-B2 Method of using imidazolothiazole compounds for the treatment of disease AMBIT BIOSCIENCE CORPORATION (US) 2012-03-06 US disclosed
US-20070232604-A1 receptor kinase inhibitors such as 3-(2-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-phenyl}-benzo[d]imidazo[2,1-b]thiazol-7-yl)-N-(2-morpholin-4-yl-ethyl)-propionamide; flk inhibitors AMBIT BIOSCIENCES CORPORATION 2007-10-04 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 (3 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-20140243525-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE GRK2, GRK4, GRK3 AKR1C3 3172/4885AKR1C2 2996/4885F2RL3 1215/4885
US-20120129850-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE GRK2, GRK4, GRK3 AKR1C3 3172/4885AKR1C2 2996/4885F2RL3 1215/4885
US-20070232604-A1 receptor kinase inhibitors such as 3-(2-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-phenyl}-benzo[d]imidazo[2,1-b]thiazol-7-yl)-N-(2-morpholin-4-yl-ethyl)-propionamide; flk inhibitors GRK2, GRK3, BLK AKR1C3 3419/4885AKR1C2 3028/4885F2RL3 414/4885

“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.