SCHEMBL14509566

SCHEMBL14509566

COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CSC

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.58
▸ LNPEP Q9UIQ6 5/20 0.55
▸ ERAP2 Q6P179 7/20 0.54
▸ ERAP1 Q9NZ08 4/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ IL1RN P18510 3/20 0.53
▸ NPY4R P50391 2/20 0.52
▸ NPY1R P25929 1/20 0.52
▸ MDM4 O15151 1/20 0.52
▸ MDM2 Q00987 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.49
▸ THRB P10828 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ ESR1 P03372 1/20 0.49
▸ ESR2 Q92731 1/20 0.49
▸ NLRP3 Q96P20 1/20 0.48

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
SCHEMBL27824408 0.91 ERAP2 (0.64) TSHRLNPEPERAP2ERAP1NPSR1
SCHEMBL27824405 0.91 ERAP2 (0.64) TSHRLNPEPERAP2ERAP1NPSR1
SCHEMBL12047661 0.88 ERAP2 (0.61) TSHRLNPEPERAP2ERAP1NPSR1
Hydrochloric Acid SCHEMBL7698566 0.87 TSHR (0.58) TSHRLNPEPERAP2ERAP1NPSR1
SCHEMBL27501939 0.86 ACE (0.57) NPY4RNPY1R
SCHEMBL10394119 0.86 TSHR (0.67) TSHRLNPEPERAP2ERAP1MDM4
SCHEMBL11359300 0.86 TSHR (0.67) TSHRLNPEPERAP2ERAP1MDM4
SCHEMBL11597665 0.86 TSHR (0.67) TSHRLNPEPERAP2ERAP1MDM4
SCHEMBL8214204 0.86 TSHR (0.60) TSHRLNPEPERAP2ERAP1NPSR1
SCHEMBL27431221 0.86 ERAP2 (0.62) TSHRLNPEPERAP2ERAP1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070111930-A1 PROCESS FOR PREPARING VAPREOTIDE DR. REDDY'S LABORATORIES, INC. 2007-05-17 — — 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 (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-20070111930-A1 PROCESS FOR PREPARING VAPREOTIDE VIP, SSTR4, SSTR5 TSHR 40/4885LNPEP 201/4885ERAP2 1525/4885

“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.

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