SCHEMBL1943907

SCHEMBL1943907

CS(=O)(=O)c1ccc(CCCO)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 6/20 0.67
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA4 P22748 1/20 0.50
▸ CA6 P23280 1/20 0.50
▸ CA5A P35218 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ CA14 Q9ULX7 1/20 0.50
▸ CA5B Q9Y2D0 1/20 0.50
▸ CYP4A11 Q02928 1/20 0.49
▸ ENPP2 Q13822 1/20 0.48
▸ ESR2 Q92731 4/20 0.47
▸ PTGS2 P35354 3/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL1434498 0.88 CA2 (0.64) CA2CA12CA1CA4CA6
SCHEMBL30026758 0.82 CA2 (0.65) CA2CA12CA1CA4CA6
SCHEMBL7216900 0.82 CA2 (0.69) CA2CA12CA1CA9SMN1; SMN2
SCHEMBL1727436 0.82 CA2 (0.69) CA2CA12CA1CA4CA6
SCHEMBL7337427 0.82 CA2 (0.48) CA2CA12CA1CA4CA6
SCHEMBL3540843 0.80 CA2 (0.56) CA2CYP4A11
SCHEMBL1805395 0.80 CA2 (1.00) CA2CA12CA1CA4CA6
SCHEMBL6798039 0.80 CA2 (0.52) CA2CA12CA1CA4CA6
SCHEMBL7339629 0.80 CA2 (0.47) CA2CA12CA1CA9ENPP2
SCHEMBL9834111 0.80 CA2 (0.47) CA2CA12CA1CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0443560-A2 HIV protease inhibitors BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-08-28 — — EP claimed
EP-4568666-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS Alexion Pharmaceuticals, Inc. (US) 2025-06-18 — — EP disclosed
CN-119768164-A Pharmaceutical compounds for treating complement-mediated disorders 阿雷克森制药公司 2025-04-04 — — CN disclosed
WO-2024035686-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2024-02-15 — — WO disclosed
EP-3381913-B1 2-(((PYRROLIDIN-3-YL)CARBONYL)AMINO)-1H-IMIDAZOLE DERIVATIVES AS MELANOCORTIN RECEPTOR 1 (MCR1) AGONISTS FOR TREATING RHEUMATOID ARTHRITIS MITSUBISHI TANABE PHARMA CORP (JP) 2021-03-31 — — EP disclosed
WO-2017090743-A1 NOVEL IMIDAZOLE COMPOUND AND USE THEREOF AS MELANOCORTIN RECEPTOR AGONIST 田辺三菱製薬株式会社 2017-06-01 — — WO disclosed
US-8710224-B2 Heterocyclic compounds as CCR2B antagonists ASTRAZENECA AB (SE) 2014-04-29 — — US disclosed
US-20140038978-A1 HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS ASTRAZENECA AB (SE) 2014-02-06 — — US disclosed
US-20120264762-A1 Heterocyclic Compounds as CCR2 Antagonists ASTRAZENECA AB (SE) 2012-10-18 — — US disclosed
US-20110136820-A1 Heterocyclic Compounds as CCR2 Antagonists ASTRAZENECA AB (SE) 2011-06-09 — — US disclosed
US-7906645-B2 Heterocyclic compounds as ccr2b antagonists ASTRAZENECA AB (SE) 2011-03-15 — — US disclosed
US-20090099156-A1 Heterocyclic Compounds as Ccr2b antagonists ASTRAZENECA AB (SE) 2009-04-16 — — US disclosed
EP-1831164-A1 HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS AstraZeneca AB (SE) 2007-09-12 — — EP disclosed
US-20070135490-A1 Phenetanolamine derivatives GLAXO GROUP LIMITED (GB) 2007-06-14 — — US disclosed
US-7094789-B2 5-substituted isoquinoline derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2006-08-22 — — US disclosed
WO-2006067401-A1 HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS ASTRAZENECA AB (SE) 2006-06-29 — — WO disclosed
EP-1541559-A1 5-SUBSTITUTED ISOQUINOLINE DERIVATIVE Asahi Kasei Pharma Corporation (JP) 2005-06-15 — — EP disclosed
US-20050020623-A1 5-Substituted isoquinoline derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2005-01-27 — — US disclosed
EP-0443560-A2 HIV protease inhibitors BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-08-28 — — 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 (6 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-20050020623-A1 5-Substituted isoquinoline derivatives MYLK, MYLK2, MYL12A CA2 760/4885CA12 4540/4885CA1 3439/4885
US-20120264762-A1 Heterocyclic Compounds as CCR2 Antagonists CCR2, CCR3, CXCR2 CA2 2534/4885CA12 3168/4885CA1 3403/4885
US-20110136820-A1 Heterocyclic Compounds as CCR2 Antagonists CCR2, CCR3, CXCR2 CA2 2534/4885CA12 3168/4885CA1 3403/4885
US-20140038978-A1 HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS CCR2, CCR3, CXCR2 CA2 2767/4885CA12 3111/4885CA1 3544/4885
US-20090099156-A1 Heterocyclic Compounds as Ccr2b antagonists CCR2, CCR3, CXCR2 CA2 2900/4885CA12 3158/4885CA1 3578/4885
US-20070135490-A1 Phenetanolamine derivatives ADRB2, ADRB1, ADRB3 CA2 1309/4885CA12 3979/4885CA1 4283/4885

“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.

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