SCHEMBL4657780

SCHEMBL4657780

CC(C)CC(=O)Nc1c[c][c]cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.59
LMNA P02545 2/20 0.53
HPGD P15428 2/20 0.53
SMN1; SMN2 Q16637 6/20 0.50
RAB9A P51151 5/20 0.50
GAA P10253 2/20 0.50
NPC1 O15118 4/20 0.49
KDM4E B2RXH2 2/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
TSHR P16473 1/20 0.48
ALDH1A1 P00352 3/20 0.46
F2R P25116 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MTNR1B P49286 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
GFER P55789 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL1353653 0.82 PTPN1 (0.68) PTPN1LMNAHPGDSMN1; SMN2RAB9A
SCHEMBL4629132 0.80 GAA (0.49) HPGDSMN1; SMN2RAB9AGAAKDM4E
SCHEMBL21765873 0.79 PTPN1 (0.88) PTPN1LMNAHPGDSMN1; SMN2RAB9A
SCHEMBL4628407 0.77 TP53 (0.58) LMNAHPGDSMN1; SMN2RAB9ANPC1
SCHEMBL4628415 0.76 SMN1; SMN2 (0.48) LMNAHPGDSMN1; SMN2RAB9AGAA
SCHEMBL13178829 0.75 PTPN1 (0.68) PTPN1LMNAHPGDSMN1; SMN2RAB9A
SCHEMBL3021548 0.74 LMNA (0.86) PTPN1LMNAHPGDSMN1; SMN2RAB9A
SCHEMBL4628897 0.74 L3MBTL1 (0.63) PTPN1LMNAHPGDSMN1; SMN2RAB9A
SCHEMBL8361578 0.73 PTPN1 (0.76) PTPN1LMNAHPGDSMN1; SMN2RAB9A
SCHEMBL6389276 0.73 PTPN1 (0.76) PTPN1LMNAHPGDSMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7129264-B2 Biarylmethyl indolines and indoles as antithromboembolic agents BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-31 US claimed
US-20040220206-A1 Biarylmethyl indolines, indoles and tetrahydroquinolines, useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-04 US claimed
EP-1633716-A4 BIARYLMETHYL INDOLINES, INDOLES AND TETRAHYDROQUINOLINES, USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-03-26 EP disclosed
US-7129264-B2 Biarylmethyl indolines and indoles as antithromboembolic agents BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-31 US disclosed
EP-1633716-A2 BIARYLMETHYL INDOLINES, INDOLES AND TETRAHYDROQUINOLINES, USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2006-03-15 EP disclosed
WO-2004094372-A2 COMPOUNDS USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-04 WO disclosed
US-20040220206-A1 Biarylmethyl indolines, indoles and tetrahydroquinolines, useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-04 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-20040220206-A1 Biarylmethyl indolines, indoles and tetrahydroquinolines, useful as serine protease inhibitors TFPI, TFPI2, F2 PTPN1 2263/4885LMNA 803/4885HPGD 2049/4885

“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.