Sugi Predict

Sugi Predict / Compounds / SCHEMBL3751585

SCHEMBL3751585

SCHEMBL3751585

COC(=O)[C@@H](N)Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.56
▸ TSHR P16473 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.53
▸ TACR1 P25103 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ ROCK2 O75116 1/20 0.47
▸ ROCK1 Q13464 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NOS2 P35228 2/20 0.44
▸ SLC7A5 Q01650 2/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ DPP4 P27487 1/20 0.42
▸ DPP7 Q9UHL4 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42

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
SCHEMBL3750165 1.00 PNMT (0.56) PNMTTSHRALDH1A1TACR1SMN1; SMN2
SCHEMBL3750842 1.00 PNMT (0.56) PNMTTSHRALDH1A1TACR1SMN1; SMN2
Hydrochloric Acid SCHEMBL3750161 0.98 ALDH1A1 (0.55) PNMTTSHRALDH1A1TACR1SMN1; SMN2
Hydrochloric Acid SCHEMBL29399031 0.98 ALDH1A1 (0.55) PNMTTSHRALDH1A1TACR1SMN1; SMN2
Hydrochloric Acid SCHEMBL3750170 0.98 ALDH1A1 (0.55) PNMTTSHRALDH1A1TACR1SMN1; SMN2
Hydrochloric Acid SCHEMBL3751582 0.98 ALDH1A1 (0.55) PNMTTSHRALDH1A1TACR1SMN1; SMN2
SCHEMBL24158334 0.89 PNMT (0.54) PNMTTSHRALDH1A1TACR1SMN1; SMN2
SCHEMBL5144504 0.88 CA2 (0.51) ALDH1A1SLC7A5PTGS2
SCHEMBL15105379 0.88 CA2 (0.51) ALDH1A1SLC7A5PTGS2
SCHEMBL5144506 0.88 CA2 (0.51) ALDH1A1SLC7A5PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4425181-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE Bertis Inc (KR) 2024-09-04 — — EP disclosed
US-20240174603-A1 MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME RAPPTA THERAPEUTICS OY (FI) 2024-05-30 — — US disclosed
EP-4288412-A1 MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME Rappta Therapeutics Oy (FI) 2023-12-13 — — EP disclosed
WO-2022167866-A1 MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME RAPPTA THERAPEUTICS OY (FI) 2022-08-11 — — WO disclosed
US-7855292-B2 Cholecystokinin (CCK) receptor ligands; antagonists; 3-(5-Bromo-thiophen-2-yl)-2-[4-chloro-2-(quinoxaline-5-sulfonylamino)-benzoylamino]-propionic acid methy; pain, drug dependence, anxiety, panic attack, schizophrenia, pancreatic disorders, secretory disorders, ulcers, cancers; improved pharmacokinetics JANSSEN PHARMACEUTICA NV (BE) 2010-12-21 — — US disclosed
US-20100292240-A1 SULFONAMIDE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 — — US disclosed
US-20080132511-A1 Cholecystokinin (CCK) receptor ligands; antagonists; 3-(5-Bromo-thiophen-2-yl)-2-[4-chloro-2-(quinoxaline-5-sulfonylamino)-benzoylamino]-propionic acid methy; pain, drug dependence, anxiety, panic attack, schizophrenia, pancreatic disorders, secretory disorders, ulcers, cancers; improved pharmacokinetics JANSSEN PHARMACEUTICA NV (BE) 2008-06-05 — — US disclosed
US-7297816-B2 Sulfonamide compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-20 — — US disclosed
EP-1797083-A1 SULFONAMIDE COMPOUNDS Janssen Pharmaceutica, N.V. (BE) 2007-06-20 — — EP disclosed
WO-2006036670-A1 SULFONAMIDE COMPOUNDS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-04-06 — — WO disclosed
US-20060069286-A1 Sulfonamide compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2006-03-30 — — US disclosed
EP-0923550-B1 ACYLAMINOALKENYLENE-AMIDE DERIVATIVES AS NK1 AND NK2 ANTAGONISTS NOVARTIS AG (CH) 2002-09-25 — — EP disclosed
US-6319917-B1 NEUROGENIC INFLAMMATION AND TACHYKININ BRONCHOCONSTRICTION INHIBITORS NOVARTIS AG (CH) 2001-11-20 — — US disclosed
EP-0923550-A1 ACYLAMINOALKENYLENE-AMIDE DERIVATIVES AS NK1 AND NK2 ANTAGONISTS Novartis AG (CH) 1999-06-23 — — EP disclosed
WO-1998007694-A1 ACYLAMINOALKENYLENE-AMIDE DERIVATIVES AS NK1 AND NK2 ANTAGONISTS NOVARTIS AG (CH) 1998-02-26 — — WO 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 (4 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-20080132511-A1 Cholecystokinin (CCK) receptor ligands; antagonists; 3-(5-Bromo-thiophen-2-yl)-2-[4-chloro-2-(quinoxaline-5-sulfonylamino)-benzoylamino]-propionic acid methy; pain, drug dependence, anxiety, panic attack, schizophrenia, pancreatic disorders, secretory disorders, ulcers, cancers; improved pharmacokinetics CCKAR, CCKBR, GRPR PNMT 1220/4885TSHR 93/4885ALDH1A1 1954/4885
US-20240174603-A1 MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME PPM1A, PPP2CA, PPP3CA PNMT 1591/4885TSHR 2069/4885ALDH1A1 1616/4885
US-20100292240-A1 SULFONAMIDE COMPOUNDS CCKAR, CCKBR, TAS1R2 PNMT 4499/4885TSHR 1353/4885ALDH1A1 2749/4885
US-20060069286-A1 Sulfonamide compounds CCKAR, CCKBR, TAS1R2 PNMT 4499/4885TSHR 1353/4885ALDH1A1 2749/4885

“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.