SCHEMBL6446703

SCHEMBL6446703

O=C(C(=O)N1CCN(C(=O)c2cccs2)CC1)c1c[nH]c2c(-c3nn[nH]n3)ccc(F)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.39
GAA P10253 4/20 0.38
CYP2C9 P11712 1/20 0.38
TNFSF11 O14788 1/20 0.37
TNF P01375 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
ALDH1A1 P00352 2/20 0.37
PARP1 P09874 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
ALOX12 P18054 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CYP3A4 P08684 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL6442520 0.87 CYP2C9 (0.50) GPR35CYP2C9PARP1CYP3A4
SCHEMBL6441663 0.85 GAA (0.39) GAACYP2C9TNFSF11TNFCA12
SCHEMBL6443103 0.83 L3MBTL1 (0.42) GPR35GAACYP2C9ALDH1A1PARP1
SCHEMBL6442499 0.83 RAB9A (0.50) GPR35GAACYP2C9ALDH1A1PARP1
SCHEMBL6446655 0.81 PARP1 (0.36) GPR35CYP2C9ALDH1A1PARP1NPC1
SCHEMBL6442692 0.81 TSHR (0.40) GPR35CYP2C9ALDH1A1PARP1RAB9A
SCHEMBL6441165 0.77 CYP2C9 (0.49) CYP2C9ALDH1A1RAB9ALMNACYP3A4
SCHEMBL6442845 0.76 CYP2C19 (0.55) CYP2C9PARP1CYP3A4
SCHEMBL6442848 0.76 CYP2C19 (0.55) CYP2C9PARP1CYP3A4
SCHEMBL6442528 0.74 CYP2C9 (0.51) CYP2C9CYP3A4

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
WO-2002004440-A9 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2005-11-03 WO claimed
EP-1299382-B1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2005-09-21 EP claimed
EP-1299382-A4 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2004-02-11 EP claimed
US-6573262-B2 Compounds for treating mammals infected with HIV virus BRISTOL-MYERS SQIBB COMPANY 2003-06-03 US claimed
US-20030069245-A1 Composition and antiviral activity of substituted indoleoxoacetic piperazine derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2003-04-10 US claimed
EP-1299382-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-09 EP claimed
WO-2002004440-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-01-17 WO claimed

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-20030069245-A1 Composition and antiviral activity of substituted indoleoxoacetic piperazine derivatives IDO1, IDO2, ITPA GPR35 2166/4885GAA 1408/4885CYP2C9 2370/4885

“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.