SCHEMBL39566

SCHEMBL39566

O=C1SCCN1c1ccco1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.34
GAA P10253 1/20 0.33
PRKDC P78527 1/20 0.31
MAPT P10636 2/20 0.31
TNKS2 Q9H2K2 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TSHR P16473 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 1/20 0.31
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL9489951 0.72 KDM4E (0.37) PRKDCMAPTALDH1A1CYP1A2RECQL
SCHEMBL40342 0.69 TNKS (0.35) PRKDCMAPTALDH1A1SMN1; SMN2
SCHEMBL39726 0.69 MAPT (0.49) GAAPRKDCMAPTALDH1A1TSHR
SCHEMBL21047591 0.64 PRKDC (0.40) PRKDCMAPTALDH1A1RECQLPOLB
SCHEMBL16470749 0.63 ALDH1A1 (0.36) GAAMAPTALDH1A1TSHRRECQL
SCHEMBL27668135 0.62 MAPT (0.38) GAAMAPTALDH1A1RECQLPOLB
SCHEMBL3349858 0.62 ALDH1A1 (0.41) GAAPRKDCMAPTALDH1A1POLB
SCHEMBL761104 0.62
SCHEMBL39665 0.62 KDM4E (0.35) GAAPRKDCMAPTALDH1A1RECQL
SCHEMBL21047699 0.62 PRKDC (0.35) PRKDCMAPTALDH1A1TSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3682947-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRIN CD11B/CD18 GB006, Inc. (US) 2020-07-22 EP disclosed
EP-3243821-B1 PHARMACEUTICAL FORMULATIONS FOR REGULATING INTEGRIN CD11B/CD18 GB006 INC (US) 2020-02-26 EP disclosed
CN-106038558-B Compounds and methods for modulating integrin CD11b/CD18 GB006公司 2020-01-10 CN disclosed
EP-3243821-A1 PHARMACEUTICAL FORMULATIONS FOR REGULATING INTEGRIN CD11B/CD18 Adhaere Pharamaceuticals, Inc. (US) 2017-11-15 EP disclosed
EP-2591092-B1 COMPOUNDS AND METHODS FOR REGULATING INTEGRIN CD11B/CD18 ADHAERE PHARAMACEUTICALS INC (US) 2017-06-21 EP disclosed
CN-106038558-A Compounds and methods for regulating integrin CD11B/CD18 阿德黑雷制药公司 2016-10-26 CN disclosed
CN-103189500-B Compounds and methods for modulating integrin CD11b/CD18 阿德黑雷制药公司 2016-06-15 CN disclosed
US-9023876-B2 Compounds and methods for regulating integrins ADHAERE PHARMACEUTICALS, INC. (US) 2015-05-05 US disclosed
EP-2591092-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRIN CD11B/CD18 Adhaere Pharamaceuticals, Inc. (US) 2013-05-15 EP disclosed
US-20120010255-A1 Compounds and Methods for Regulating Integrins ATEGRIN, INC. 2012-01-12 US disclosed
WO-2012005800-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRIN CD11B/CD18 ADHAERE PHARAMACEUTICALS, INC. (US) 2012-01-12 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-20120010255-A1 Compounds and Methods for Regulating Integrins ITGB8, ITGB3, ITGAM CNR1 1192/4885GAA 4195/4885PRKDC 4533/4885

“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.