SCHEMBL2615853

SCHEMBL2615853

CC(=O)NC(Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.46
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
PAM P19021 1/20 0.42
ALDH1A1 P00352 4/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ITGB1 P05556 4/20 0.41
ITGA4 P13612 4/20 0.41
PPARG P37231 1/20 0.41
CTSL P07711 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CAPN1 P07384 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL14969565 0.91 TACR1 (0.55) TACR1CTSSCTSKPAMALDH1A1
SCHEMBL2101102 0.87 PPARG (0.39) ALDH1A1LMNAGLANPSR1PPARG
SCHEMBL2628415 0.87 PPARG (0.39) ALDH1A1LMNAGLANPSR1PPARG
SCHEMBL8734045 0.84 KMT2A (0.46) TACR1NPSR1ITGB1ITGA4
SCHEMBL21883998 0.84 KMT2A (0.46) TACR1NPSR1ITGB1ITGA4
SCHEMBL29973039 0.84 GLA (0.46) TACR1GLANPSR1
SCHEMBL29973119 0.84 GLA (0.46) TACR1GLANPSR1
SCHEMBL7202631 0.83 CTSL (0.58) TACR1CTSSCTSKALDH1A1LMNA
SCHEMBL29850361 0.82 TACR1 (0.61) TACR1CTSSCTSKCTSL
SCHEMBL13628937 0.81 KMT2A (0.41) TACR1GLANPSR1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9440988-B2 Regulators of the hedgehog pathway, compositions and uses related thereto JOHN HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 2016-09-13 US disclosed
US-20120135066-A1 REGULATORS OF THE HEDGEHOG PATHWAY, COMPOSITIONS AND USES RELATED THERETO BEACHY PHILIP A (US) 2012-05-31 US disclosed
US-8163719-B2 Regulators of the hedgehog pathway, compositions and uses related thereto JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 2012-04-24 US disclosed
US-20110263519-A1 REGULATORS OF THE HEDGEHOG PATHWAY, COMPOSITIONS AND USES RELATED THERETO JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 2011-10-27 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 (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-20120135066-A1 REGULATORS OF THE HEDGEHOG PATHWAY, COMPOSITIONS AND USES RELATED THERETO SHH, GLI1, SMO TACR1 4165/4885CTSS 3243/4885CTSK 3374/4885
US-20110263519-A1 REGULATORS OF THE HEDGEHOG PATHWAY, COMPOSITIONS AND USES RELATED THERETO SHH, GLI1, SMO TACR1 4165/4885CTSS 3243/4885CTSK 3374/4885

“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.