SCHEMBL16708233

SCHEMBL16708233

Cc1ccc2oc(C(=O)CBr)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.53
TAS1R1 Q7RTX1 3/20 0.53
MAOB P27338 4/20 0.49
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CA14 Q9ULX7 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.48
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GLA P06280 1/20 0.45

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
SCHEMBL16708124 0.87 GSK3B (0.44) TAS1R3TAS1R1MAOBALDH1A1HPGD
SCHEMBL8034219 0.87 TAS1R3 (0.59) TAS1R3TAS1R1MAOBCA12CA1
SCHEMBL14707706 0.83 TAS1R3 (0.59) TAS1R3TAS1R1MAOBCA12CA1
SCHEMBL3721823 0.82 PIM1 (0.68) CA12CA1CA2CA9ALDH1A1
SCHEMBL2096338 0.81 NPC1 (0.54) TAS1R3TAS1R1MAOBCA12CA1
SCHEMBL18313582 0.81 ALDH1A1 (0.47) CA12CA1CA2CA9ALDH1A1
SCHEMBL8310947 0.80 TAS1R3 (0.59) TAS1R3TAS1R1CA12CA1CA2
SCHEMBL9259864 0.80 PIM1 (0.49) ALDH1A1HPGDSMN1; SMN2LMNAKDM4E
SCHEMBL9260289 0.80 LMNA (0.42) TAS1R3TAS1R1ALDH1A1HPGDSMN1; SMN2
SCHEMBL28703856 0.80 MAOB (0.68) MAOBCA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9862730-B2 Imidazothiadiazole derivatives as protease activated receptor 4 (PAR4) inhibitors for treating platelet aggregation BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-09 US disclosed
US-20150133446-A1 IMIDAZOTHIADIAZOLE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION UNIVERSITE DE MONTREAL (CA) 2015-05-14 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-20150133446-A1 IMIDAZOTHIADIAZOLE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION F2RL3, F2R, F2RL1 TAS1R3 355/4885TAS1R1 644/4885MAOB 2077/4885

“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.