SCHEMBL4894264

SCHEMBL4894264

O=C(O)C1NCCc2ccsc21

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAPKAPK2 P49137 7/20 0.39
GRIA2 P42262 1/20 0.37
PNMT P11086 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
MAPKAPK5 Q8IW41 1/20 0.34

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
Hydrochloric Acid SCHEMBL9789705 0.80 KMT2A (0.42) TSHRNPSR1MAPKAPK2PNMTTAAR1
SCHEMBL24038635 0.78 KDM4E (0.41) TSHRNPSR1
SCHEMBL9789723 0.78 TSHR (0.35) TSHRNPSR1TAAR1
SCHEMBL10867605 0.76 TAAR1 (0.35) TSHRNPSR1PNMTTAAR1
SCHEMBL2844408 0.75 PNMT (0.38) PNMTTAAR1
SCHEMBL9207161 0.75 TSHR (0.53) TSHRNPSR1MAPKAPK2GRIA2
Hydrochloric Acid SCHEMBL10489402 0.73 TSHR (0.55) TSHRNPSR1MAPKAPK2GRIA2
SCHEMBL12760984 0.71 PRCP (0.54)
SCHEMBL10653698 0.70 TAAR1 (0.37) TAAR1
Hydrochloric Acid SCHEMBL10762375 0.69 TAAR1 (0.35) TSHRNPSR1TAAR1

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
CN-113773251-B Anilines useful as rory modulators 励缔(杭州)医药科技有限公司 2024-06-11 CN disclosed
CN-113773251-A Anilines useful as ROR gamma modulators 上海辉启生物医药科技有限公司 2021-12-10 CN disclosed
US-7399770-B2 Thieno-imino acid derivatives for use as matrix metalloproteinase inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-07-15 US disclosed
US-20070093482-A1 THIENO-IMINO ACID DERIVATIVES FOR USE AS MATRIX METALLOPROTEINASE INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-04-26 US disclosed
US-4826855-A Thieno pyridines and their use as anti-hypertensive agents BOEHRINGER INGELHEIM KG (DE) 1989-05-02 US disclosed
US-4766129-A Pyrrolo[2,3-C]pyridines and their use as anti-hypertensive agents BOEHRINGER INGELHEIM KG (DE) 1988-08-23 US disclosed
US-4683238-A 2,3,4,9-tetrahydro beta carboline derivatives, useful as antihypertensive agents BOEHRINGER INGELHEIM KG (DE) 1987-07-28 US disclosed
EP-0174571-A2 Derivatives of amino acids, process for their preparation and pharmaceutical compositions BOEHRINGER INGELHEIM KG (DE) 1986-03-19 EP disclosed
US-4555511-A Thieno [3,2,C]pyridines useful as antihypertensives BOEHRINGER INGELHEIM KG (DE) 1985-11-26 US disclosed
EP-0116842-A2 Amino-acids derivatives, process for their preparation and their use BOEHRINGER INGELHEIM KG (DE) 1984-08-29 EP 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-20070093482-A1 THIENO-IMINO ACID DERIVATIVES FOR USE AS MATRIX METALLOPROTEINASE INHIBITORS MMP1, MIF, MMP12 TSHR 1607/4885NPSR1 3043/4885MAPKAPK2 3369/4885

“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.