SCHEMBL7202813

SCHEMBL7202813

Cn1ccnc1SCCCCc1ccc(OP(=O)(O)C(F)F)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
MAPT P10636 3/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 3/20 0.36
TP53 P04637 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RECQL P46063 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HRH3 Q9Y5N1 3/20 0.34
ALPL P05186 1/20 0.33
ALPG P10696 1/20 0.33
HDAC1 Q13547 1/20 0.33

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
SCHEMBL7197766 0.97 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL7194590 0.84 RAB9A (0.40) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL7198910 0.83 TDP1 (0.44) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL7183056 0.82 GRM2 (0.38) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL7188434 0.81 RAB9A (0.41) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL7205805 0.80 TDP1 (0.44) ALDH1A1LMNASMN1; SMN2RAB9AMAPT
SCHEMBL7202619 0.80 FDPS (0.41) ALDH1A1HRH3HDAC1
SCHEMBL7194455 0.80 HRH3 (0.34) HRH3
SCHEMBL7193791 0.80 NPC1 (0.39) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL7202806 0.79 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6498151-B2 PROTEIN TYROSINE PHOSPHATASES INHIBITORS, ESPECIALLY AS ANTIDIABETIC AGENTS MERCK FROSST CANADA & CO. (CA) 2002-12-24 US claimed
EP-1268494-A1 SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS Merck Frosst Canada & Co. (CA) 2003-01-02 EP disclosed
US-6498151-B2 PROTEIN TYROSINE PHOSPHATASES INHIBITORS, ESPECIALLY AS ANTIDIABETIC AGENTS MERCK FROSST CANADA & CO. (CA) 2002-12-24 US disclosed
US-20020091104-A1 Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors MERCK FROSST CANADA LTD. (CA) 2002-07-11 US disclosed
WO-2001070753-A1 SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS MERCK FROSST CANADA & CO. (CA) 2001-09-27 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-20020091104-A1 Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors PTPRF, PTPRS, PTPRO ALDH1A1 312/4885LMNA 4857/4885SMN1; SMN2 3541/4885

“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.