SCHEMBL23850641

SCHEMBL23850641

O=C(CN1CCCCC1)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 1.00
CNR2 P34972 2/20 0.66
APOBEC3A P31941 1/20 0.65
APOBEC3G Q9HC16 1/20 0.65
MGAM O43451 3/20 0.62
ALDH1A1 P00352 3/20 0.62
GAA P10253 1/20 0.62
HPGD P15428 1/20 0.62
TSHR P16473 1/20 0.62
AMY1A P0DUB6 1/20 0.60
TP53 P04637 1/20 0.59
THRB P10828 1/20 0.59
MAPT P10636 1/20 0.58
KDM4E B2RXH2 1/20 0.57
POLB P06746 1/20 0.57
PTK2B Q14289 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL23851337 0.92 RORC (1.00) RORCCNR2APOBEC3AAPOBEC3GMGAM
SCHEMBL23850790 0.90 RORC (1.00) RORCCNR2APOBEC3AAPOBEC3GMGAM
SCHEMBL6248317 0.84 RORC (0.73) RORCMGAMALDH1A1AMY1ATP53
SCHEMBL3801324 0.80 RORC (0.68) RORCCNR2MGAMALDH1A1AMY1A
SCHEMBL6203556 0.79 ALDH1A1 (0.73) RORCCNR2APOBEC3AAPOBEC3GALDH1A1
SCHEMBL23851325 0.79 RORC (1.00) RORCMGAMAMY1ATP53MAPT
SCHEMBL7888385 0.79 MGAM (0.73) RORCMGAMALDH1A1GAAHPGD
SCHEMBL21045596 0.79 RORC (0.67) RORCMGAMALDH1A1GAATSHR
Bicarbonate SCHEMBL7890907 0.79 RORC (0.67) RORCCNR2MGAMALDH1A1AMY1A
SCHEMBL3988276 0.78 ALDH1A1 (0.97) RORCCNR2ALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220000864-A1 MODULATORS OF RAR-RELATED ORPHAN RECEPTORS (RORs) 11949098 CANADA INC. (CA) 2022-01-06 US claimed
EP-3883929-A1 4,5,6,7-TETRAHYDRO-L-BENZOTHIOPHENE MODULATORS OF RETINOIC ACID RECEPTOR RELATED (RAR) ORPHAN NUCLEAR RECEPTORS (RORS) 11949098 Canada Inc. (CA) 2021-09-29 EP claimed
CN-113166130-A 4,5,6, 7-tetrahydro-L-benzothiophene modulators of retinoic acid receptor-associated (RAR) orphan nuclear receptors (ROR) 11949098加拿大股份有限公司 2021-07-23 CN claimed
US-20220000864-A1 MODULATORS OF RAR-RELATED ORPHAN RECEPTORS (RORs) 11949098 CANADA INC. (CA) 2022-01-06 US disclosed
EP-3883929-A1 4,5,6,7-TETRAHYDRO-L-BENZOTHIOPHENE MODULATORS OF RETINOIC ACID RECEPTOR RELATED (RAR) ORPHAN NUCLEAR RECEPTORS (RORS) 11949098 Canada Inc. (CA) 2021-09-29 EP disclosed
CN-113166130-A 4,5,6, 7-tetrahydro-L-benzothiophene modulators of retinoic acid receptor-associated (RAR) orphan nuclear receptors (ROR) 11949098加拿大股份有限公司 2021-07-23 CN 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-20220000864-A1 MODULATORS OF RAR-RELATED ORPHAN RECEPTORS (RORs) RORB, RORC, RORA RORC 2/4885CNR2 478/4885APOBEC3A 4300/4885

“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.