SCHEMBL6384342

SCHEMBL6384342

CSCC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cc1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 6/20 0.59
FNTB P49356 6/20 0.59
ALDH1A1 P00352 2/20 0.52
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL6383800 0.83 ALDH1A1 (0.58) FNTAFNTBALDH1A1MAPT
SCHEMBL6387223 0.83 FNTA (0.50) FNTAFNTBALDH1A1NPSR1
SCHEMBL8624850 0.80 FNTA (0.54) FNTAFNTBALDH1A1MAPT
SCHEMBL8626764 0.79 FNTA (0.60) FNTAFNTBALDH1A1MAPT
SCHEMBL2330739 0.77 FNTA (0.53) FNTAFNTBALDH1A1NPSR1
SCHEMBL2330735 0.77 FNTA (0.53) FNTAFNTBALDH1A1NPSR1
SCHEMBL6382326 0.77 FNTA (0.54) FNTAFNTBALDH1A1NPSR1
SCHEMBL6136290 0.77 FNTA (0.60) FNTAFNTBALDH1A1NPSR1
SCHEMBL6136285 0.77 FNTA (0.60) FNTAFNTBALDH1A1NPSR1
SCHEMBL6136282 0.77 FNTA (0.60) FNTAFNTBALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050209217-A1 3-Mercaptopyrrolidines as farnesyl protein transferase inhibitors BOYLE FRANCIS T 2005-09-22 US disclosed
EP-0923545-A1 3-MERCAPTOPYRROLIDINES AS FARNESYL PROTEIN TRANSFERASE INHIBITORS ZENECA LIMITED (GB) 1999-06-23 EP disclosed
WO-1998007692-A1 3-MERCAPTOPYRROLIDINES AS FARNESYL PROTEIN TRANSFERASE INHIBITORS ZENECA LIMITED (GB) 1998-02-26 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-20050209217-A1 3-Mercaptopyrrolidines as farnesyl protein transferase inhibitors FNTB, FNTA, KRAS FNTA 2/4885FNTB 1/4885ALDH1A1 1024/4885

“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.