SCHEMBL2591249

SCHEMBL2591249

Cc1cc2cc(F)ccc2n1CC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PTGDR2 Q9Y5Y4 10/20 0.48
CCR2 P41597 1/20 0.47
AKR1B1 P15121 1/20 0.46
PTGIR P43119 1/20 0.45
PTGDR Q13258 1/20 0.45
PRMT5 O14744 1/20 0.44

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
SCHEMBL16156180 0.88 PTGDR2 (0.47) PTGDR2CCR2AKR1B1PTGIRPTGDR
SCHEMBL12371073 0.88 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10CCR2
SCHEMBL3005494 0.84 PTGDR2 (0.47) KDM4EALDH1A1PTGDR2AKR1B1
SCHEMBL1422093 0.84 ALDH1A1 (0.55) KDM4EALDH1A1HPGDHSD17B10PRMT5
SCHEMBL1598783 0.82 ALDH1A1 (0.56) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1251025 0.81 CCR2 (0.47) KDM4EALDH1A1CCR2
SCHEMBL1467597 0.81 CCR2 (0.54) PTGDR2CCR2AKR1B1
SCHEMBL23502112 0.81 KDM4E (0.38) KDM4EHSD17B10PTGDR2
SCHEMBL27990361 0.81 CCR2 (0.50) PTGDR2CCR2AKR1B1
SCHEMBL21031894 0.80 CACNA1B (0.46) KDM4EALDH1A1HPGDHSD17B10CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 US disclosed
US-10370358-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2019-08-06 US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 US disclosed
EP-2729448-B1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2015-09-09 EP disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 US disclosed
EP-2729448-A1 COMPOUNDS FOR THE TREATMENT OF HIV Gilead Sciences, Inc. (US) 2014-05-14 EP disclosed
EP-1551802-B1 INDOLE-3-SULPHUR DERIVATIVES ASTRAZENECA AB (SE) 2009-12-02 EP disclosed
CN-101506159-A Compounds having CRTH2 antagonist activity OXAGEN LTD (GB) 2009-08-12 CN disclosed
WO-2009090414-A1 COMPOUNDS HAVING CRTH2 ANTAGONIST ACTIVITY OXAGEN LIMITED (GB) 2009-07-23 WO disclosed
CN-101454284-A Biaryl or aryl-heteroaryl substituted indoles ASTRAZENECA AB (SE) 2009-06-10 CN disclosed
US-20090143449-A1 Bi-Aryl or Aryl-Heteroaryl Substituted Indoles ASTRAZENECA AB (SE) 2009-06-04 US disclosed
EP-2046740-A1 COMPOUNDS HAVING CRTH2 ANTAGONIST ACTIVITY Oxagen Limited (GB) 2009-04-15 EP disclosed
WO-2008012511-A1 COMPOUNDS HAVING CRTH2 ANTAGONIST ACTIVITY OXAGEN LIMITED (GB) 2008-01-31 WO disclosed
CN-1279023-C Indole-3-sulphur derivatives ASTRAZENECA AB (SE) 2006-10-11 CN disclosed
US-20060111426-A1 Indole-3-sulphur derivaties ASTRAZENECA AB (SE) 2006-05-25 US disclosed
CN-1678579-A Indole-3-sulfur derivatives ASTRAZENECA AB (SE) 2005-10-05 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 (8 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-10370358-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN KDM4E 1590/4885ALDH1A1 649/4885HPGD 1093/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN KDM4E 1590/4885ALDH1A1 649/4885HPGD 1093/4885
US-20090143449-A1 Bi-Aryl or Aryl-Heteroaryl Substituted Indoles AHR, IDO1, IDO2 KDM4E 2290/4885ALDH1A1 142/4885HPGD 692/4885
US-20060111426-A1 Indole-3-sulphur derivaties IDO1, IDO2, INMT KDM4E 2224/4885ALDH1A1 290/4885HPGD 647/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN KDM4E 1590/4885ALDH1A1 649/4885HPGD 1093/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN KDM4E 1590/4885ALDH1A1 649/4885HPGD 1093/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN KDM4E 1590/4885ALDH1A1 649/4885HPGD 1093/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN KDM4E 1590/4885ALDH1A1 649/4885HPGD 1093/4885

“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.