SCHEMBL1422141

SCHEMBL1422141

CNC(OC(C)=O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ALDH1A1 P00352 3/20 0.36
ALOX15 P16050 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
GALR3 O60755 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
CYP3A4 P08684 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL27781702 0.78 ALDH1A1 (0.41) TSHRALDH1A1CHRM2CHRM4CHRM1
SCHEMBL1120209 0.74
SCHEMBL2485440 0.74
SCHEMBL23193783 0.72 ALDH1A1 (0.30) ALDH1A1MAPT
SCHEMBL10308597 0.70 TSHR (0.42) TSHRALDH1A1ALOX15CHRM2CHRM4
SCHEMBL5225784 0.70 TSHR (0.42) TSHRALDH1A1ALOX15CHRM2CHRM4
SCHEMBL11659865 0.69
SCHEMBL3975509 0.68
SCHEMBL1442538 0.67 TSHR (0.50) TSHRALDH1A1ALOX15CHRM2CHRM4
SCHEMBL3945787 0.67 TSHR (0.50) TSHRALDH1A1ALOX15CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376524-B1 DERIVATIVES OF CYCLOSPORIN A CYPRALIS LTD (GB) 2017-03-15 EP disclosed
US-8551952-B2 Methods for the treatment and prevention of ocular disorders SCYNEXIS, INC. (US) 2013-10-08 US disclosed
US-8536114-B2 Macrocycles SCYNEXIS, INC. (US) 2013-09-17 US disclosed
US-20120270804-A1 METHODS FOR THE TREATMENT AND PREVENTION OF OCULAR DISORDERS HOUCK DAVID RENWICK (US) 2012-10-25 US disclosed
US-8188052-B2 Method for the treatment and prevention of ocular disorders SCYNEXIS, INC. (US) 2012-05-29 US disclosed
EP-2023918-B1 CYCLOSPORINS FOR THE TREATMENT AND PREVENTION OF OCULAR DISORDERS SCYNEXIS INC (US) 2011-03-23 EP disclosed
US-20100173836-A1 NOVEL MACROCYCLES CYPRALIS LIMITED (GB) 2010-07-08 US disclosed
US-20100062975-A1 METHOD FOR THE TREATMENT AND PREVENTION OF OCULAR DISORDERS SCYNEXIS, INC. 2010-03-11 US disclosed
EP-2023918-A2 METHOD FOR THE TREATMENT AND PREVENTION OF OCULAR DISORDERS Scynexis, Inc. (US) 2009-02-18 EP disclosed
WO-2007136759-A2 METHOD FOR THE TREATMENT AND PREVENTION OF OCULAR DISORDERS SCYNEXIS, INC. (US) 2007-11-29 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 (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-20100062975-A1 METHOD FOR THE TREATMENT AND PREVENTION OF OCULAR DISORDERS ALDH1A2, ALDH1A3, ADH1B TSHR 814/4885ALDH1A1 80/4885ALOX15 905/4885
US-20100173836-A1 NOVEL MACROCYCLES CCNB2, CYP1B1, CCKBR TSHR 471/4885ALDH1A1 641/4885ALOX15 3560/4885
US-20120270804-A1 METHODS FOR THE TREATMENT AND PREVENTION OF OCULAR DISORDERS ALDH1A2, ALDH1A3, EYA3 TSHR 1080/4885ALDH1A1 63/4885ALOX15 1028/4885

“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.