Sugi Predict

Sugi Predict / Compounds / SCHEMBL458941

SCHEMBL458941

SCHEMBL458941

Cc1nc2cc(-c3ccc4c(c3)CCCC4)nn2c(-c2ccc(Cl)cc2)c1[C@H](OC(C)(C)C)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 1/20 0.55
▸ PSIP1 O75475 1/20 0.49
▸ CYP3A4 P08684 1/20 0.42
▸ TP53 P04637 2/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ HPGD P15428 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ DPP4 P27487 1/20 0.37
▸ DPP8 Q6V1X1 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL461811 1.00 NR1I2 (0.55) NR1I2PSIP1CYP3A4TP53RXFP1
SCHEMBL462642 0.93 PSIP1 (0.56) NR1I2PSIP1CYP3A4HPGDSMN1; SMN2
SCHEMBL461875 0.93 PSIP1 (0.56) NR1I2PSIP1CYP3A4HPGDSMN1; SMN2
SCHEMBL470382 0.92 NR1I2 (0.47) NR1I2PSIP1TP53RXFP1HPGD
SCHEMBL462585 0.92 NR1I2 (0.59) NR1I2PSIP1TP53KDM4EHTT
SCHEMBL457473 0.92 NR1I2 (0.59) NR1I2PSIP1TP53KDM4EHTT
SCHEMBL462983 0.91 NR1I2 (0.57) NR1I2PSIP1CYP3A4DPP4DPP8
SCHEMBL462539 0.90 PSIP1 (0.51) NR1I2PSIP1CYP3A4KDM4EALDH1A1
SCHEMBL12091019 0.89 NR1I2 (0.63) NR1I2PSIP1CYP3A4HPGDSMN1; SMN2
SCHEMBL461307 0.88 NR1I2 (0.54) NR1I2PSIP1CYP3A4DPP4DPP8

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-8633200-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-21 — — US disclosed
US-8633200-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-21 — — US disclosed
US-8633200-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-21 — — US disclosed
EP-2614064-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION Bristol-Myers Squibb Company (US) 2013-07-17 — — EP disclosed
US-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication BRISTOL-MYERS SQUIBB COMPANY 2012-09-06 — — US disclosed
US-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication BRISTOL-MYERS SQUIBB COMPANY 2012-09-06 — — US disclosed
US-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication BRISTOL-MYERS SQUIBB COMPANY 2012-09-06 — — US disclosed
WO-2012033735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 — — WO disclosed
WO-2012033735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 — — WO 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-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication EIF2AK2, RTF2, MAVS NR1I2 3085/4885PSIP1 1676/4885CYP3A4 1719/4885

“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.