SCHEMBL12445324

SCHEMBL12445324

CC(C)(C)c1ccc(-c2cccc(C(F)(F)F)c2)o1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
SLC9A1 P19634 1/20 0.49
PRMT1 Q99873 1/20 0.48
CACNA1G O43497 1/20 0.45
CACNA1B Q00975 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
RXRA P19793 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL4493820 0.80 RAB9A (0.54) GAAMAPK1RAB9ACYP1A2CYP2C19
SCHEMBL12529434 0.78 SLC9A1 (0.46) MAPK1RAB9AKDM4EALDH1A1SLC9A1
SCHEMBL12519881 0.77 PRMT1 (0.57) GAAMAPK1RAB9ACYP1A2CYP2C19
SCHEMBL18539930 0.77 CYP1A2 (0.58) GAAMAPK1RAB9ACYP1A2CYP2C19
SCHEMBL9980406 0.77 SOS1 (0.54) GAAMAPK1RAB9AKDM4EALDH1A1
SCHEMBL6545560 0.76 KDM4E (0.63) GAAMAPK1RAB9ACYP1A2CYP2C19
SCHEMBL11809518 0.75 CYP1A2 (0.59) GAAMAPK1RAB9ACYP1A2CYP2C19
SCHEMBL25094071 0.75 KIF11 (0.60) GAAMAPK1ALDH1A1RXRA
SCHEMBL799583 0.75 KMT2A (0.44) MAPK1RAB9ACYP2C19ALDH1A1HPGD
SCHEMBL26781772 0.75 TSHR (0.38) RAB9ACYP2C19ALDH1A1HPGDKMT2A

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-8895497-B2 Cathepsin S inhibitors DCB-USA, LLC (US) 2014-11-25 US disclosed
US-20110166141-A1 CATHEPSIN S INHIBITORS DCB-USA, LLC (US) 2011-07-07 US disclosed
US-20110160207-A1 HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-06-30 US disclosed
US-7935696-B2 e.g. 5-(4-Chlorophenyl)-N-(5-(cyclopropylcarbamoyl)-2-methylphenyl)furan-2-carboxamide; p38 alpha and beta kinase inhibitor; antiinflammatory agent; asthma, inflammatory bowel disease, osteoporosis, psoriasis, graft vs. host rejection, atherosclerosis, multiple myeloma, pain, myocardial ischemia BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-03 US disclosed
US-20080171741-A1 HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-07-17 US disclosed
US-20080171741-A1 HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-07-17 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-20080171741-A1 HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS MAP3K1, MAP3K8, MAP3K20 GAA 1239/4885MAPK1 11/4885RAB9A 796/4885
US-20110160207-A1 HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS MAP3K1, MAP3K8, MAP3K20 GAA 1239/4885MAPK1 11/4885RAB9A 796/4885
US-20110166141-A1 CATHEPSIN S INHIBITORS CTSS, CTSV, CTSB GAA 55/4885MAPK1 3189/4885RAB9A 561/4885

“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.