SCHEMBL3036593

SCHEMBL3036593

CCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCS3(=O)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.56
CCR5 P51681 16/20 0.46
CXCR3 P49682 3/20 0.40
CCR7 P32248 2/20 0.40
CXCR5 P32302 1/20 0.39

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
SCHEMBL30227439 1.00 CCR2 (0.56) CCR2CCR5CXCR3CCR7CXCR5
Hydrochloric Acid SCHEMBL7931139 0.99 CCR2 (0.55) CCR2CCR5CXCR3CCR7CXCR5
Sulfuric Acid SCHEMBL7972067 0.97 CCR2 (0.53) CCR2CCR5CXCR3CCR7CXCR5
SCHEMBL7969651 0.97 CCR2 (0.53) CCR2CCR5CXCR3CCR7CXCR5
SCHEMBL7970522 0.97 CCR2 (0.56) CCR2CCR5CXCR3CCR7CXCR5
SCHEMBL3032178 0.97 CCR2 (0.56) CCR2CCR5CXCR3CCR7CXCR5
SCHEMBL7968866 0.96 CCR2 (0.55) CCR2CCR5CXCR3CCR7CXCR5
SCHEMBL3031528 0.96 CCR2 (0.58) CCR2CCR5CXCR3CCR7CXCR5
SCHEMBL30227218 0.96 CCR2 (0.58) CCR2CCR5CXCR3CCR7CXCR5
SCHEMBL7970211 0.95 CCR2 (0.54) CCR2CCR5CXCR3CCR7CXCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050245537-A1 Use of compounds having ccr antagonism TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-03 US claimed
US-20050154016-A1 Preventives for hiv infection TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-07-14 US claimed
EP-1498138-A1 PREVENTIVES FOR HIV INFECTION Takeda Pharmaceutical Company Limited (JP) 2005-01-19 EP claimed
EP-1498125-A1 USE OF COMPOUNDS HAVING CCR ANTAGONISM Takeda Pharmaceutical Company Limited (JP) 2005-01-19 EP claimed
US-6235771-B1 AIDS THERPAY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US claimed
EP-4143235-A1 METHODS AND COMPOSITIONS FOR TREATING CYTOKINE STORM INFECTIONS, INCLUDING COVID-19, BY INHIBITING CCR5/CCL5 INTERACTION IncellDx, Inc. (US) 2023-03-08 EP disclosed
WO-2021222069-A1 METHODS AND COMPOSITIONS FOR TREATING CYTOKINE STORM INFECTIONS, INCLUDING COVID-19, BY INHIBITING CCR5/CCL5 INTERACTION INCELLDX, INC. (US) 2021-11-04 WO disclosed
US-20100216871-A1 USE OF COMPOUNDS HAVING CCR ANTAGONISM TSUCHIMORI NOBORU 2010-08-26 US disclosed
US-20050245537-A1 Use of compounds having ccr antagonism TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-03 US disclosed
US-20050154016-A1 Preventives for hiv infection TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-07-14 US disclosed
EP-1498138-A1 PREVENTIVES FOR HIV INFECTION Takeda Pharmaceutical Company Limited (JP) 2005-01-19 EP disclosed
EP-1498125-A1 USE OF COMPOUNDS HAVING CCR ANTAGONISM Takeda Pharmaceutical Company Limited (JP) 2005-01-19 EP disclosed
US-6566535-B1 Causing an orthohalogenobenzaldehyde or derivative to react with a propanethiol having an electron-attracting group at its 4- position. TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-05-20 US disclosed
US-20030078189-A1 Medicinal compositions for oral use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-04-24 US disclosed
EP-1236476-A1 MEDICINAL COMPOSITIONS FOR ORAL USE Takeda Chemical Industries, Ltd. (JP) 2002-09-04 EP disclosed
EP-1184381-A1 PROCESSES FOR THE PREPARATION OF 2,3-DIHYDROTHIEPINE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2002-03-06 EP disclosed
US-6235771-B1 AIDS THERPAY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US 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-20050154016-A1 Preventives for hiv infection CCR5, CCR2, CCR1 CCR2 2/4885CCR5 1/4885CXCR3 19/4885
US-20030078189-A1 Medicinal compositions for oral use CCR5, CXCR3, CCL5 CCR2 23/4885CCR5 1/4885CXCR3 2/4885
US-20050245537-A1 Use of compounds having ccr antagonism CCR1, CCR3, CCR2 CCR2 3/4885CCR5 9/4885CXCR3 11/4885
US-20100216871-A1 USE OF COMPOUNDS HAVING CCR ANTAGONISM CCR1, CCR3, CCR2 CCR2 3/4885CCR5 9/4885CXCR3 11/4885

“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.