SCHEMBL21883586

SCHEMBL21883586

CC(SS)c1cccc(C#N)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
LMNA P02545 2/20 0.38
FAAH O00519 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
HTR2B P41595 1/20 0.38
GABRA2 P47869 1/20 0.38

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
SCHEMBL21883565 0.85 GABRA1 (0.39) TSHRGABRA1GABRB2LMNAFAAH
SCHEMBL13440313 0.80 GABRA1 (0.61) TSHRGABRA1GABRB2LMNAFAAH
SCHEMBL21883592 0.80 CYP1A2 (0.34) TSHRCYP1A2CYP3A4L3MBTL1ALDH1A1
SCHEMBL1981242 0.75 TSHR (0.52) TSHRGABRA1GABRB2LMNAFAAH
SCHEMBL17202443 0.73 TSHR (0.38) TSHRGABRA1GABRB2LMNAFAAH
SCHEMBL19779459 0.72 TSHR (0.39) TSHRGABRA1GABRB2LMNAFAAH
SCHEMBL19779785 0.72 TSHR (0.37) TSHRGABRA1GABRB2LMNAFAAH
SCHEMBL21883598 0.72 MAPK1 (0.31) SMN1; SMN2MAPK1
SCHEMBL3032522 0.71 CXCR2 (0.47) TSHRLMNACA1CA2HPGD
SCHEMBL19781773 0.70 CXCR2 (0.41) TSHRCA1CA2ESR2CXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210171492-A1 SOMATOSTATIN MODULATORS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2021-06-10 US disclosed
US-10597377-B2 Somatostatin modulators and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2020-03-24 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-10597377-B2 Somatostatin modulators and uses thereof SSTR5, SSTR2, SSTR4 TSHR 70/4885GABRA1 322/4885GABRB2 182/4885
US-20210171492-A1 SOMATOSTATIN MODULATORS AND USES THEREOF SSTR5, SSTR2, SSTR4 TSHR 70/4885GABRA1 322/4885GABRB2 182/4885

“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.