SCHEMBL2914385

SCHEMBL2914385

O=C(O)c1ccc(SCCCl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
ALOX15 P16050 1/20 0.45
PLA2G2A P14555 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
RECQL P46063 1/20 0.43
HTT P42858 1/20 0.43
SRD5A2 P31213 2/20 0.43
PLA2G4B P0C869 1/20 0.43
PLA2G4A P47712 1/20 0.43
TEAD1 P28347 1/20 0.42
YAP1 P46937 1/20 0.42
TEAD4 Q15561 1/20 0.42
TEAD2 Q15562 1/20 0.42
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 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
SCHEMBL10876734 0.89 PLA2G4B (0.53) TSHRTP53SMN1; SMN2ALOX15PLA2G2A
SCHEMBL9696756 0.83 TSHR (0.52) TSHRTP53SMN1; SMN2ALOX15RECQL
SCHEMBL1018288 0.82 CA2 (0.52) TSHRTP53SMN1; SMN2ALOX15PLA2G2A
SCHEMBL12365457 0.80 ALDH1A1 (0.53) TSHRTP53SMN1; SMN2ALOX15PLA2G2A
SCHEMBL1017821 0.80 HTT (0.51) TSHRTP53SMN1; SMN2PLA2G2AHTT
SCHEMBL5848182 0.80 ALDH1A1 (0.48) TSHRTP53SMN1; SMN2NPC1RAB9A
SCHEMBL1018124 0.78 CA2 (0.54) TSHRTP53SMN1; SMN2PLA2G2ANPC1
Hydrochloric Acid SCHEMBL28033163 0.78 TSHR (0.46) TSHRTP53SMN1; SMN2ALOX15PLA2G2A
SCHEMBL10366613 0.78 ALDH1A1 (0.52) TSHRSMN1; SMN2NPC1RAB9AALDH1A1
Terephthalic Acid SCHEMBL9017252 0.78 TSHR (0.71) TSHRTP53SMN1; SMN2ALOX15RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1028942-B1 DIPEPTIDE NITRILES NOVARTIS AG (CH) 2010-09-01 EP disclosed
US-20080027060-A1 DIPEPTIDE NITRILES ALTMANN EVA 2008-01-31 US disclosed
US-20060235220-A1 Dipeptide nitriles MISSBACH MARTIN 2006-10-19 US disclosed
US-20040110806-A1 Dipeptide derivatives ALTMANN EVA (CH) 2004-06-10 US disclosed
US-20040029814-A1 Dipeptide nitriles ALTMANN EVA (CH) 2004-02-12 US disclosed
US-6353017-B1 INHIBITORS OF CATHESPINS USING DIPEPTIDE NITRILES AS ANTIINFLAMMATORY AGENTS AND ANTIARTHRITIC AGENTS NOVARTIS AG (CH) 2002-03-05 US disclosed
EP-1028942-A2 DIPEPTIDE NITRILES Novartis AG (CH) 2000-08-23 EP disclosed
WO-1999024460-A2 DIPEPTIDE NITRILES NOVARTIS AG (CH) 1999-05-20 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 (4 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-20040110806-A1 Dipeptide derivatives CTSL, CTSZ, CTSS TSHR 2994/4885TP53 155/4885SMN1; SMN2 4548/4885
US-20040029814-A1 Dipeptide nitriles NOS1, CTSL, CTSS TSHR 2883/4885TP53 200/4885SMN1; SMN2 4277/4885
US-20060235220-A1 Dipeptide nitriles CTSL, CTSS, CTSB TSHR 2383/4885TP53 99/4885SMN1; SMN2 4307/4885
US-20080027060-A1 DIPEPTIDE NITRILES CTSL, CTSS, CTSB TSHR 2383/4885TP53 99/4885SMN1; SMN2 4307/4885

“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.