Sugi Predict

Sugi Predict / Compounds / SCHEMBL2805815

SCHEMBL2805815

SCHEMBL2805815

N#CC1(CC(=O)O)CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ CACNA2D1 P54289 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HSD11B1 P28845 4/20 0.41
▸ OPRM1 P35372 1/20 0.35
▸ OPRL1 P41146 1/20 0.35
▸ MME P08473 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL840651 0.98 CYP2C19 (0.48) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL3495245 0.98 CYP2C19 (0.48) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL3909670 0.96 CYP2C19 (0.47) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL2807409 0.95 HSD11B1 (0.41) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL7552932 0.91 — —
SCHEMBL14744077 0.80 MCL1 (0.36) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL5692544 0.78 ALDH1A1 (0.38) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL8839908 0.77 ALDH1A1 (0.37) CYP2C19ALDH1A1CYP1A2USP2LMNA
Potassium Ion SCHEMBL3909671 0.77 ALDH1A1 (0.37) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL20724940 0.76 OPRM1 (0.34) ALDH1A1OPRM1OPRL1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137636-A1 IDENTIFICATION OF A NITRILASE FROM B. JAPONICUM BY RATIONAL GENOME MINING AND METHODS OF USE SOUTHERN METHODIST UNIVERSITY 2010-06-03 — — US claimed
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 — — US disclosed
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 — — US disclosed
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 — — US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 — — US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 — — US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 — — US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 — — US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 — — US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 — — US disclosed
WO-2010108059-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS ANTAGONISTS OF THE HISTAMINE H4 RECEPTOR INCYTE CORPORATION (US) 2010-09-23 — — WO disclosed
US-20100137636-A1 IDENTIFICATION OF A NITRILASE FROM B. JAPONICUM BY RATIONAL GENOME MINING AND METHODS OF USE SOUTHERN METHODIST UNIVERSITY 2010-06-03 — — US disclosed
US-20100137636-A1 IDENTIFICATION OF A NITRILASE FROM B. JAPONICUM BY RATIONAL GENOME MINING AND METHODS OF USE SOUTHERN METHODIST UNIVERSITY 2010-06-03 — — US disclosed
US-20100137636-A1 IDENTIFICATION OF A NITRILASE FROM B. JAPONICUM BY RATIONAL GENOME MINING AND METHODS OF USE SOUTHERN METHODIST UNIVERSITY 2010-06-03 — — US disclosed
WO-2008155619-A2 PREPARATION OF OPTICALLY-ACTIVE CYCLIC AMINO ACIDS PFIZER INC. (US) 2008-12-24 — — WO disclosed
WO-2007094885-A2 IDENTIFICATION OF A NITRILASE FROM B. JAPONICUM BY RATIONAL GENOME MINING AND METHODS OF USE SOUTHERN METHODIST UNIVERSITY (US) 2007-08-23 — — WO disclosed
WO-2007094885-A2 IDENTIFICATION OF A NITRILASE FROM B. JAPONICUM BY RATIONAL GENOME MINING AND METHODS OF USE SOUTHERN METHODIST UNIVERSITY (US) 2007-08-23 — — WO disclosed
US-20070178575-A1 Identification Of A Nitrilase From B. Japonicum By Rational Genome Mining And Methods Of Use SOUTHERN METHODIST UNIVERSITY 2007-08-02 — — US disclosed
US-20070178575-A1 Identification Of A Nitrilase From B. Japonicum By Rational Genome Mining And Methods Of Use SOUTHERN METHODIST UNIVERSITY 2007-08-02 — — US disclosed
US-20070178575-A1 Identification Of A Nitrilase From B. Japonicum By Rational Genome Mining And Methods Of Use SOUTHERN METHODIST UNIVERSITY 2007-08-02 — — US 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 (3 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-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS HRH4, HRH2, HRH1 CYP2C19 350/4885ALDH1A1 1903/4885CYP1A2 814/4885
US-20100137636-A1 IDENTIFICATION OF A NITRILASE FROM B. JAPONICUM BY RATIONAL GENOME MINING AND METHODS OF USE BLVRB, BBOX1, GGH CYP2C19 1410/4885ALDH1A1 634/4885CYP1A2 253/4885
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS HRH4, HRH2, HRH1 CYP2C19 173/4885ALDH1A1 2399/4885CYP1A2 479/4885

“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.