SCHEMBL876392

SCHEMBL876392

CCCCCOc1[nH]ncc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
PLA2G4B P0C869 1/20 0.42
KDM6B O15054 3/20 0.42
KDM4A O75164 3/20 0.42
KDM4D Q6B0I6 3/20 0.42
KDM3B Q7LBC6 3/20 0.42
HIF1AN Q9NWT6 3/20 0.42
KDM5B Q9UGL1 3/20 0.42
KDM2A Q9Y2K7 3/20 0.42
PTPN11 Q06124 5/20 0.41
S1PR3 Q99500 1/20 0.41
RARB P10826 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL8167721 0.69 PTPN11 (0.61) PLA2G2ATP53TSHRPLA2G4BPTPN11
SCHEMBL9311809 0.69 KDM6B (0.39) KDM6BKDM4AKDM4DKDM3BHIF1AN
SCHEMBL16836639 0.68 PTPN11 (0.60) PLA2G2ATP53TSHRPLA2G4BPTPN11
SCHEMBL668981 0.68 PTPN11 (0.64) PLA2G2ATP53TSHRPLA2G4BPTPN11
SCHEMBL4462194 0.68 PTPN11 (0.64) PLA2G2ATP53TSHRPLA2G4BPTPN11
SCHEMBL16603119 0.68 TSHR (0.36) TSHRMEN1KMT2ATDP1ALDH1A1
Hydrochloric Acid SCHEMBL9038246 0.68 PTPN11 (0.60) PLA2G2ATP53TSHRPLA2G4BPTPN11
SCHEMBL10539639 0.68 PTPN11 (0.64) PLA2G2ATP53TSHRPLA2G4BPTPN11
Hydrochloric Acid SCHEMBL8154036 0.68 PTPN11 (0.60) PLA2G2ATP53TSHRPLA2G4BPTPN11
SCHEMBL35210991 0.68 PTPN11 (0.64) PLA2G2ATP53TSHRPLA2G4BPTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619182-B1 PHARMACEUTICAL COMPOSITION EISAI R&D MAN CO LTD (JP) 2016-11-09 EP disclosed
EP-3061751-A1 PHARMACEUTICAL COMPOSITION Eisai R&D Management Co., Ltd. (JP) 2016-08-31 EP disclosed
CN-103097358-B Pharmaceutical composition EISAI R&D MAN CO LTD 2015-04-08 CN disclosed
US-9000024-B2 Pharmaceutical composition EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-07 US disclosed
US-20140155452-A1 PHARMACEUTICAL COMPOSITION EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-05 US disclosed
US-20130237578-A1 PHARMACEUTICAL COMPOSITION EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-09-12 US disclosed
EP-2619182-A1 PHARMACEUTICAL COMPOSITION Eisai R&D Management Co., Ltd. (JP) 2013-07-31 EP disclosed
CN-103097358-A Pharmaceutical composition EISAI R&D MAN CO LTD 2013-05-08 CN disclosed
WO-2012039972-A1 PHARMACEUTICAL COMPOSITION EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-03-29 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 (2 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-20140155452-A1 PHARMACEUTICAL COMPOSITION CYP3A5, CYP2C19, CYP3A7 PLA2G2A 1454/4885TP53 3778/4885TSHR 4234/4885
US-20130237578-A1 PHARMACEUTICAL COMPOSITION CYP3A5, CYP2C19, CYP3A7 PLA2G2A 1454/4885TP53 3778/4885TSHR 4234/4885

“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.