SCHEMBL1229628

SCHEMBL1229628

CS(=O)(=O)OCc1ccnc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.50
CYP1A2 P05177 2/20 0.46
MMP13 P45452 3/20 0.43
ADAMTS4 O75173 1/20 0.43
PDE10A Q9Y233 1/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
HIF1A Q16665 1/20 0.42
NCF1 P14598 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
ADAM17 P78536 3/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL15414568 0.83 KDM4E (0.37) CYP1A2MMP13ADAMTS4CYP3A4CYP2D6
SCHEMBL28149455 0.81 CYP1A2 (0.37) LOXL2CYP1A2CYP3A4CYP2D6HTT
SCHEMBL29395064 0.81 KDM4C (0.37) CYP1A2MMP13ADAMTS4CYP3A4CYP2D6
SCHEMBL29244641 0.80 SMN1; SMN2 (0.53) LOXL2CYP1A2MMP13ADAMTS4SMN1; SMN2
SCHEMBL3142083 0.78 LOXL2 (0.58) LOXL2CYP1A2PDE10ACYP3A4CYP2D6
SCHEMBL15414107 0.76 CYP1A2 (0.41) CYP1A2CYP3A4CYP2D6HIF1ASMN1; SMN2
SCHEMBL3267362 0.76 KDM4E (0.39) LOXL2PDE10ANCF1SMN1; SMN2HTT
SCHEMBL14066963 0.75 LOXL2 (0.51) LOXL2CYP1A2PDE10ACYP3A4CYP2D6
SCHEMBL5935677 0.75 CYP1A2 (0.49) CYP1A2MMP13ADAMTS4NCF1SMN1; SMN2
SCHEMBL805503 0.75 LOXL2 (0.64) LOXL2CYP1A2PDE10ACYP3A4CYP2D6

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-20120190701-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-07-26 US disclosed
EP-2467385-A1 RENIN INHIBITORS Merck Canada Inc. (CA) 2012-06-27 EP disclosed
WO-2011020193-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2011-02-24 WO disclosed
US-5217963-A Antiischemic, antiepileptic agent CIBA-GEIGY CORPORATION (US) 1993-06-08 US disclosed
US-5057506-A Anticonvulsants, antispasmodic and antischemic agents CIBA-GEIGY CORPORATION (US) 1991-10-15 US disclosed
EP-0203891-B1 CERTAIN PHOSPHONIC ACIDS AND DERIVATIVES CIBA-GEIGY AG (CH) 1991-05-15 EP disclosed
US-4906621-A Certain 2-carboxypiperidyl-alkylene phosphonic acids and esters thereof useful for the treatment of disorders responsive to N-methyl-D-aspartate receptor blockade CIBA-GEIGY CORPORATION (US) 1990-03-06 US disclosed
US-4898854-A NERVOUS SYSTEM DISORDERS CIBA-GEIGY CORPORATION (US) 1990-02-06 US disclosed
EP-0203891-A2 Certain phosphonic acids and derivatives CIBA-GEIGY AG (CH) 1986-12-03 EP 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-20120190701-A1 RENIN INHIBITORS REN, ACE, AGTR1 LOXL2 4033/4885CYP1A2 850/4885MMP13 607/4885

“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.