SCHEMBL8515102

SCHEMBL8515102

Cc1[nH]nc(-c2ccccc2)c1CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.49
GAA P10253 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PTGDR2 Q9Y5Y4 7/20 0.45
POLB P06746 2/20 0.45
HPGDS O60760 1/20 0.45
LMNA P02545 1/20 0.45
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
CHEK1 O14757 1/20 0.42
AKT2 P31751 1/20 0.42
NR4A1 P22736 1/20 0.42
NR4A2 P43354 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
SCHEMBL12985200 0.88 RAB9A (0.50) RAB9AGAAKDM4EALDH1A1HPGDS
SCHEMBL9609104 0.83 RAB9A (0.43) RAB9AKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL11242632 0.82 KDM4E (0.50) RAB9AGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL27511626 0.81 HSP90AA1 (0.49) GAAKDM4EALDH1A1MAPTCASP1
SCHEMBL17055639 0.80 PDE4A (0.48) RAB9AGAAKDM4EALDH1A1MAPT
SCHEMBL28319223 0.77 PDE4A (0.50) RAB9APOLBLMNAPDE4APDE4B
SCHEMBL20654206 0.77 PDE4A (0.46) RAB9AGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL9496929 0.75 GSTO1 (0.44) RAB9AALDH1A1HPGDSPDE4APDE4B
SCHEMBL4382163 0.75 RAB9A (0.49) RAB9AGAAKDM4EALDH1A1HPGDS
SCHEMBL2830618 0.73 MEN1 (0.51) KDM4ELMNAPDE4D

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 13 patents. 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
WO-2013006738-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2013-01-10 WO disclosed
WO-2012069175-A1 NEW PYRAZOLE DERIVATIVES HAVING CRTH2 ANTAGONISTIC BEHAVIOUR ALMIRALL, S.A. (ES) 2012-05-31 WO disclosed
EP-2457900-A1 New pyrazole derivatives having CRTh2 antagonistic behaviour Almirall, S.A. (ES) 2012-05-30 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-10370358-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN RAB9A 357/4885GAA 148/4885KDM4E 1590/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN RAB9A 357/4885GAA 148/4885KDM4E 1590/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN RAB9A 357/4885GAA 148/4885KDM4E 1590/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN RAB9A 357/4885GAA 148/4885KDM4E 1590/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN RAB9A 357/4885GAA 148/4885KDM4E 1590/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN RAB9A 357/4885GAA 148/4885KDM4E 1590/4885

“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.