SCHEMBL10164822

SCHEMBL10164822

CCc1ccc(C(F)(F)F)c(O)c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.57
CYP19A1 P11511 1/20 0.40
KIF11 P52732 1/20 0.40
PDK2 Q15119 1/20 0.39
DAO P14920 1/20 0.38
POLB P06746 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 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
SCHEMBL8199656 0.84 TRPA1 (0.57) TRPA1CYP19A1PDK2DAOPOLB
SCHEMBL2789181 0.82 TRPA1 (0.59) TRPA1DAOPOLB
SCHEMBL20376284 0.82 KIF11 (0.53) CYP19A1KIF11PDK2RXRARXRB
SCHEMBL3245823 0.81 RXRA (0.44) TRPA1KIF11PDK2DAORXRA
SCHEMBL8253275 0.80 CYP19A1 (0.40) TRPA1CYP19A1KIF11POLBRXRA
SCHEMBL10209007 0.80 LOXL2 (0.43) CYP19A1KIF11POLBRXRARXRB
SCHEMBL10159918 0.79 GABRA1 (0.53) TRPA1CYP19A1KIF11POLBRXRA
SCHEMBL14468412 0.79 ALOX15 (0.43) TRPA1CYP19A1POLB
SCHEMBL27028528 0.78 TRPA1 (0.55) TRPA1DAOPOLB
SCHEMBL12706035 0.78 KIF11 (0.53) TRPA1KIF11DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-20100249102-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-09-30 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-7749996-B2 Heterotricyclic metalloprotease inhibitors Alantos Pharmaceutical Holdings, Inc. (US) 2010-07-06 US disclosed
US-20100087420-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-04-08 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20080207607-A1 Heterotricyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-08-28 US disclosed
US-20080021024-A1 Metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-01-24 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 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 (9 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-20070155737-A1 Heterobicyclic metalloprotease inhibitors ADAMTS4, ADAMTS1, ADAMTS5 TRPA1 1954/4885CYP19A1 2956/4885KIF11 3334/4885
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 TRPA1 3839/4885CYP19A1 2004/4885KIF11 3567/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 TRPA1 3839/4885CYP19A1 2004/4885KIF11 3567/4885
US-20100087420-A1 Heterotricyclic Metalloprotease Inhibitors MMP13, MMP3, TIMP3 TRPA1 4001/4885CYP19A1 1159/4885KIF11 2299/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 TRPA1 3839/4885CYP19A1 2004/4885KIF11 3567/4885
US-20100249102-A1 Heterotricyclic Metalloprotease Inhibitors MMP13, MMP3, TIMP3 TRPA1 4001/4885CYP19A1 1159/4885KIF11 2299/4885
US-20080021024-A1 Metalloprotease inhibitors MMP2, MMP9, MMP3 TRPA1 1512/4885CYP19A1 188/4885KIF11 3909/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 TRPA1 3839/4885CYP19A1 2004/4885KIF11 3567/4885
US-20080207607-A1 Heterotricyclic metalloprotease inhibitors MMP13, MMP3, TIMP3 TRPA1 4001/4885CYP19A1 1159/4885KIF11 2299/4885

“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.