SCHEMBL5743956

SCHEMBL5743956

CN(C)c1cccc2c(S(=O)(=O)N3CCC[C@H]3C(=O)O)cccc12

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.60
ATM Q13315 1/20 0.60
KDM4E B2RXH2 1/20 0.53
TSHR P16473 1/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
BRD4 O60885 1/20 0.53
CCR4 P51679 1/20 0.50
HTT P42858 1/20 0.49
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47

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
SCHEMBL31363195 1.00 KMT2A (0.60) KMT2AATMKDM4ETSHRCASP1
SCHEMBL5743967 1.00 KMT2A (0.60) KMT2AATMKDM4ETSHRCASP1
SCHEMBL30203995 0.96 KMT2A (0.62) KMT2AATMKDM4ETSHRCASP1
SCHEMBL26204985 0.96 KMT2A (0.62) KMT2AATMKDM4ETSHRCASP1
SCHEMBL16675421 0.96 KMT2A (0.62) KMT2AATMKDM4ETSHRCASP1
SCHEMBL19689618 0.87 KMT2A (0.56) KMT2AATMKDM4ETSHRCASP1
SCHEMBL30338808 0.87 KMT2A (0.56) KMT2AATMKDM4ETSHRCASP1
SCHEMBL19689619 0.87 KMT2A (0.56) KMT2AATMKDM4ETSHRCASP1
SCHEMBL16668866 0.87 KMT2A (0.56) KMT2AATMKDM4ETSHRCASP1
SCHEMBL30338518 0.87 KMT2A (0.56) KMT2AATMKDM4ETSHRCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6531612-B2 Pyrrolidine-2-carboxylic acid cyano-methyl amide derivatives useful for treating diseases associated with cystein proteases, such as osteoporosis, osteoarthritis, rheumatoid arthritis, tumor metastasis, glomerulonephritis HOFFMAN-LA ROCHE INC. 2003-03-11 US claimed
US-20010008901-A1 Nitrile derivatives that inhibit cathepsin K F. HOFFMANN-LA ROCHE AG (CH) 2001-07-19 US claimed
CN-121081743-B Recombinant III type humanized collagen gel based on macromolecular crowding effect and preparation method and application thereof 肽源(广州)生物科技有限公司 2026-02-27 CN disclosed
CN-119174932-A Preparation method of capillary chromatographic column based on metal organic framework material and used for chiral separation 上海大学 2024-12-24 CN disclosed
US-9920020-B2 Using squaraine dyes as near infrared fluorescent sensors for protein detection THE UNIVERSITY OF AKRON (US) 2018-03-20 US disclosed
US-20120276642-A1 USING SQUARAINE DYES AS NEAR INFRARED FLUORESCENT SENSORS FOR PROTEIN DETECTION THE UNIVERSITY OF AKRON 2012-11-01 US disclosed
EP-1244621-B1 NITRILE DERIVATIVES AS CATHEPSIN K INHIBITORS HOFFMANN LA ROCHE (CH) 2006-09-13 EP disclosed
US-6531612-B2 Pyrrolidine-2-carboxylic acid cyano-methyl amide derivatives useful for treating diseases associated with cystein proteases, such as osteoporosis, osteoarthritis, rheumatoid arthritis, tumor metastasis, glomerulonephritis HOFFMAN-LA ROCHE INC. 2003-03-11 US disclosed
US-20010008901-A1 Nitrile derivatives that inhibit cathepsin K F. HOFFMANN-LA ROCHE AG (CH) 2001-07-19 US disclosed
US-5594545-A Microflow cell NIHON BUNKO KABUSHIKI KAISHA (JP) 1997-01-14 US disclosed
EP-0476248-B1 Microflow cell JAPAN SPECTROSCOPIC CO (JP) 1996-04-03 EP disclosed
US-5461079-A Applying 2-butene-1,4-diamine to plants BRITISH TECHNOLOGY GROUP LIMITED (GB) 1995-10-24 US disclosed
EP-0588825-A1 ANTIFUNGAL COMPOUNDS BTG INTERNATIONAL LIMITED (GB) 1994-03-30 EP disclosed
WO-1992021235-A1 ANTIFUNGAL COMPOUNDS BRITISH TECHNOLOGY GROUP LTD. (GB) 1992-12-10 WO disclosed
EP-0476248-A1 Microflow cell NIHON BUNKO KOGYO KABUSHIKI KAISHA (JP) 1992-03-25 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 (2 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-20120276642-A1 USING SQUARAINE DYES AS NEAR INFRARED FLUORESCENT SENSORS FOR PROTEIN DETECTION SPR, IK, SPAST KMT2A 4468/4885ATM 1629/4885KDM4E 4770/4885
US-20010008901-A1 Nitrile derivatives that inhibit cathepsin K CTSK, CTSH, CTSS KMT2A 4729/4885ATM 1599/4885KDM4E 4654/4885

“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.