SCHEMBL16015491

SCHEMBL16015491

CC(=O)c1ccc(C)c(F)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
TSHR P16473 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NTRK1 P04629 1/20 0.35
KDM4E B2RXH2 1/20 0.34
BRPF1 P55201 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL12327908 0.84 HPGD (0.55) HPGDHTTSMN1; SMN2CES2CES1
SCHEMBL29688713 0.84 HPGD (0.55) HPGDHTTSMN1; SMN2CES2CES1
SCHEMBL7822093 0.83 HPGD (0.44) HPGDHTTTSHRMRGPRX4NTRK1
SCHEMBL30367318 0.83 HPGD (0.44) HPGDHTTTSHRMRGPRX4NTRK1
SCHEMBL26771499 0.83 CES2 (0.50) SMN1; SMN2CES2CES1TSHRKDM4E
SCHEMBL23112646 0.83 HPGD (0.41) HPGDHTTSMN1; SMN2CES2CES1
SCHEMBL3107672 0.81 KDM4E (0.41) HPGDSMN1; SMN2KDM4EALDH1A1
SCHEMBL13264164 0.81 HPGD (0.43) HPGDHTTSMN1; SMN2CES2CES1
SCHEMBL27746541 0.81 HPGD (0.43) HPGDHTTSMN1; SMN2CES2CES1
SCHEMBL7177477 0.79 SMN1; SMN2 (0.39) HPGDHTTSMN1; SMN2TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160362414-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-12-15 US disclosed
US-20160340360-A1 DIHYDROPYRIDONE P1 AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-11-24 US disclosed
US-9453029-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-27 US disclosed
US-9409908-B2 Dihydropyridone p1 as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-09 US disclosed
US-20160068544-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-03-10 US disclosed
US-20150266894-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-09-24 US disclosed
US-20150112058-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-04-23 US disclosed
US-8940720-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 US disclosed
US-8828983-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-09 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 (5 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-20150112058-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 HPGD 2161/4885HTT 2077/4885SMN1; SMN2 3689/4885
US-20160068544-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F12 HPGD 2470/4885HTT 2579/4885SMN1; SMN2 3794/4885
US-20150266894-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 HPGD 2161/4885HTT 2077/4885SMN1; SMN2 3689/4885
US-20160362414-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 HPGD 2161/4885HTT 2077/4885SMN1; SMN2 3689/4885
US-20160340360-A1 DIHYDROPYRIDONE P1 AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 HPGD 477/4885HTT 1708/4885SMN1; SMN2 3512/4885

“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.