SCHEMBL332838

SCHEMBL332838

COCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1)C(=O)Cc1cccs1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MC4R P32245 11/20 0.50
MC3R P41968 10/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MC5R P33032 10/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
CDK4 P11802 1/20 0.46
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL11471836 0.76 MC3R (0.68) MC4RMC3RNPSR1MEN1KMT2A
SCHEMBL14823280 0.74 TRPM8 (0.41) MC4RMC3RNPSR1MEN1KMT2A
SCHEMBL11068554 0.72 MC3R (0.74) MC4RMC3RMEN1KMT2AMC5R
SCHEMBL7846127 0.72 CDK4 (0.60) MC4RMC3RNPSR1MEN1KMT2A
SCHEMBL14264727 0.72 MC4R (0.71) MC4RMC3RMEN1KMT2AMC5R
SCHEMBL11066319 0.70 MC4R (0.60) MC4RMC3RNPSR1MEN1KMT2A
SCHEMBL18229448 0.70 MEN1 (0.85) MC4RMC3RMEN1KMT2AMC5R
SCHEMBL30777136 0.70 MEN1 (0.85) MC4RMC3RMEN1KMT2AMC5R
SCHEMBL5807879 0.69 KMT2A (0.55) MC4RMC3RMEN1KMT2AMC5R
Hydrochloric Acid SCHEMBL7858078 0.68 CDK4 (0.58) MC4RMC3RMEN1KMT2AMC5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410138-B2 Compounds for activating TGF-beta signaling THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2013-04-02 US disclosed
US-8410138-B2 Compounds for activating TGF-beta signaling THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2013-04-02 US disclosed
US-8410138-B2 Compounds for activating TGF-beta signaling THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2013-04-02 US disclosed
US-20120095000-A1 COMPOUNDS FOR ACTIVATING TGF-BETA SIGNALING SRI INTERNATIONAL (US) 2012-04-19 US disclosed
US-20120095000-A1 COMPOUNDS FOR ACTIVATING TGF-BETA SIGNALING SRI INTERNATIONAL (US) 2012-04-19 US disclosed
US-20120095000-A1 COMPOUNDS FOR ACTIVATING TGF-BETA SIGNALING SRI INTERNATIONAL (US) 2012-04-19 US disclosed
US-8097645-B2 Compounds for activating TGF-β signaling THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-01-17 US disclosed
US-8097645-B2 Compounds for activating TGF-β signaling THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-01-17 US disclosed
US-8097645-B2 Compounds for activating TGF-β signaling THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-01-17 US disclosed
US-20090143394-A1 COMPOUNDS FOR ACTIVATING TGF-BETA SIGNALING THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2009-06-04 US disclosed
US-20090143394-A1 COMPOUNDS FOR ACTIVATING TGF-BETA SIGNALING THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2009-06-04 US disclosed
US-20090143394-A1 COMPOUNDS FOR ACTIVATING TGF-BETA SIGNALING THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2009-06-04 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-20090143394-A1 COMPOUNDS FOR ACTIVATING TGF-BETA SIGNALING TGFB1, TGFB2, TGFBR1 MC4R 3092/4885MC3R 3855/4885NPSR1 2859/4885
US-20120095000-A1 COMPOUNDS FOR ACTIVATING TGF-BETA SIGNALING TGFB1, TGFB2, TGFBR1 MC4R 3092/4885MC3R 3855/4885NPSR1 2859/4885

“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.