SCHEMBL2054641

SCHEMBL2054641

CC(C)(C)C(=O)Oc1cc(=O)[nH]c2ccc(C(C)(C)C)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRA4 P48169 1/20 0.43
GABRA6 Q16445 1/20 0.43
KIF11 P52732 4/20 0.43
MAPT P10636 2/20 0.40
AR P10275 1/20 0.40
GHSR Q92847 1/20 0.39
CHEK1 O14757 1/20 0.38
ELANE P08246 2/20 0.38
KDM4E B2RXH2 4/20 0.37
GAA P10253 2/20 0.37
ALDH1A1 P00352 2/20 0.37
F2 P00734 1/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL2054579 0.75 ALDH1A1 (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2056354 0.75 LMNA (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2054593 0.74 KDM4E (0.61) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL13604614 0.74 KIF11 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2054578 0.73 KIF11 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2054643 0.72 KIF11 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2054651 0.72 KIF11 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2054609 0.72 KIF11 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2054591 0.71 KMT2A (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2054592 0.71 KIF11 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466295-B2 Thiophene derivatives as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-06-18 US disclosed
US-8163749-B2 Six-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-24 US disclosed
US-7842708-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-30 US disclosed
US-20100022506-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-01-28 US disclosed
US-7626039-B2 Arylpropionamide, arylacrylamide, ayrlpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-01 US disclosed
US-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
US-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL -MEYERS SQUIBB COMPANY 2009-07-16 US disclosed
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB CO. 2008-07-03 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 (4 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-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 GABRA1 2846/4885GABRG2 3629/4885GABRB3 3888/4885
US-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS TFPI, F12, F11 GABRA1 4529/4885GABRG2 4723/4885GABRB3 4729/4885
US-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS TFPI, F11, F12 GABRA1 3065/4885GABRG2 4043/4885GABRB3 3903/4885
US-20100022506-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 GABRA1 2846/4885GABRG2 3629/4885GABRB3 3888/4885

“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.