SCHEMBL308205

SCHEMBL308205

CON(C)C(=O)c1ccccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.59
TSHR P16473 2/20 0.51
HPGD P15428 1/20 0.51
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
TP53 P04637 1/20 0.50
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 1/20 0.47
P2RX7 Q99572 1/20 0.46

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
SCHEMBL2653569 0.86 TSHR (0.52) POLBTSHRP2RX7
SCHEMBL3688705 0.84 CYP11B1 (0.48) POLBTSHRHPGDCES2CES1
SCHEMBL15761206 0.84 UTS2R (0.43) POLBTSHRHPGDALDH1A1KMT2A
SCHEMBL307136 0.83 MLYCD (0.42) POLBTSHRHPGDKMT2A
SCHEMBL13694021 0.83 TSHR (0.42) POLBTSHRHPGDCES2CES1
SCHEMBL18436192 0.83 POLB (0.41) POLBTSHRHPGDCES2CES1
SCHEMBL17604738 0.83 POLB (0.41) POLBTSHRHPGDCES2CES1
SCHEMBL8577021 0.83 POLB (0.41) POLBTSHRHPGDCES2CES1
SCHEMBL255022 0.80 POLB (0.67) POLBTSHRHPGDCES2CES1
SCHEMBL29482203 0.80 POLB (0.67) POLBTSHRHPGDCES2CES1

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 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2022-09-06 US disclosed
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. 2020-05-14 US disclosed
US-20190167651-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. 2019-06-06 US disclosed
US-10206912-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2019-02-19 US disclosed
US-20170095458-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2017-04-06 US disclosed
EP-2249834-B1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN INC (US) 2015-05-13 EP disclosed
EP-2242753-B1 OXAZOLIDINE AND THIAZOLIDINE SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN INC (US) 2015-04-08 EP disclosed
EP-2242753-B1 OXAZOLIDINE AND THIAZOLIDINE SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN INC (US) 2015-04-08 EP disclosed
US-8809379-B2 Selective subtype alpha 2 adrenergic agents and methods for use thereof ALLERGAN, INC. (US) 2014-08-19 US disclosed
US-8809379-B2 Selective subtype alpha 2 adrenergic agents and methods for use thereof ALLERGAN, INC. (US) 2014-08-19 US disclosed
WO-2006076644-A2 HETEROARYL SULFONAMIDES AND CCR2 CHEMOCENTRYX, INC. (US) 2006-07-20 WO disclosed
US-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists ELI LILLY COMPANY (US) 2005-10-27 US disclosed
EP-1501809-A1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-02-02 EP disclosed
EP-1080072-B1 2-(2-CHLOROPHENYL)-3,4-DIHYDRO-2H-PYRROL DERIVATIVES BAYER CROPSCIENCE AG (DE) 2004-08-04 EP disclosed
WO-2003091226-A1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-11-06 WO disclosed
US-6596773-B2 Central nervous system disorders HOFFMANN-LA ROCHE INC. 2003-07-22 US disclosed
US-20020111367-A1 Phenyl substituted pyridine and benzene derivatives BOS MICHAEL (CA) 2002-08-15 US disclosed
US-6407111-B1 SUBSTANCE P OR NEUROKININ 1 ANTAGONISTS; ANTIINFLAMMATORY, ANTIDEPRESSANT, ANTIARTHRITIC, AND ANTIASTHMATIC AGENTS; PARKINSON*S DISEASE, INFLAMMATORY BOWEL DISEASE, CENTRAL NERVOUS SYSTEM AND RHEUMATIC DISORDERS HOFFMANN-LA ROCHE INC. 2002-06-18 US disclosed
EP-1080072-A1 2-(2-CHLOROPHENYL)-3,4-DIHYDRO-2H-PYRROL DERIVATIVES Bayer Aktiengesellschaft (DE) 2001-03-07 EP disclosed
WO-1999059968-A1 2-(2-CHLOROPHENYL)-3,4-DIHYDRO-2H-PYRROL DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1999-11-25 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 (7 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-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 POLB 4044/4885TSHR 1094/4885HPGD 2694/4885
US-10206912-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 POLB 4044/4885TSHR 1094/4885HPGD 2694/4885
US-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists TACR1, TACR2, BDKRB1 POLB 4783/4885TSHR 251/4885HPGD 1378/4885
US-20020111367-A1 Phenyl substituted pyridine and benzene derivatives BDKRB1, BAK1, PBK POLB 3918/4885TSHR 1197/4885HPGD 1634/4885
US-20170095458-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 POLB 4044/4885TSHR 1094/4885HPGD 2694/4885
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 POLB 4044/4885TSHR 1094/4885HPGD 2694/4885
US-20190167651-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 POLB 4044/4885TSHR 1094/4885HPGD 2694/4885

“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.