SCHEMBL4097504

SCHEMBL4097504

CCC(=O)c1ccc(Cl)c2ccc(F)cc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
HSP90AB1 P08238 1/20 0.40
TSHR P16473 1/20 0.38
CLCN2 P51788 1/20 0.37
P2RX7 Q99572 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
ESRRA P11474 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BCKDK O14874 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL8236429 0.82 KCNH2 (0.46) KCNH2CES2CES1HSP90AB1TSHR
SCHEMBL9423079 0.82 HPGD (0.49) KCNH2CES2CES1HSP90AB1TSHR
SCHEMBL30442579 0.82 KCNH2 (0.46) KCNH2CES2CES1HSP90AB1TSHR
SCHEMBL4098841 0.78 KMT2A (0.59) HSP90AB1TSHRCYP3A4HPGDKMT2A
SCHEMBL29746067 0.78 CES2 (0.61) KCNH2CES2CES1HSP90AB1L3MBTL1
SCHEMBL196379 0.78 CES2 (0.61) KCNH2CES2CES1HSP90AB1L3MBTL1
SCHEMBL12780437 0.76 HSP90AB1 (0.47) KCNH2CES2CES1HSP90AB1TSHR
SCHEMBL4110385 0.76 CES2 (0.39) KCNH2CES2CES1CLCN2P2RX7
SCHEMBL4097322 0.73 CNR2 (0.44) KCNH2HSP90AB1TSHRCYP3A4HPGD
SCHEMBL4104160 0.73 CNR2 (0.44) KCNH2HSP90AB1TSHRCYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221645-A1 Dihydroimidazothiazole Derivatives PROSIDION LIMITED (GB) 2009-09-03 US disclosed
US-20090221645-A1 Dihydroimidazothiazole Derivatives PROSIDION LIMITED (GB) 2009-09-03 US disclosed
US-20090221645-A1 Dihydroimidazothiazole Derivatives PROSIDION LIMITED (GB) 2009-09-03 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-20090221645-A1 Dihydroimidazothiazole Derivatives TPH1, HTR3B, HTR1A KCNH2 2478/4885CES2 430/4885CES1 478/4885

“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.