SCHEMBL699774

SCHEMBL699774

CCn1c(C(=O)O)cc2cc(OC(F)(F)F)ccc21

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.56
GPR35 Q9HC97 1/20 0.52
CCR2 P41597 4/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ABCB11 O95342 1/20 0.46
PIM1 P11309 1/20 0.45
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
PLA2G4A P47712 3/20 0.44
PTGER4 P35408 1/20 0.44
SRD5A2 P31213 1/20 0.43
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
ELANE P08246 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
SCHEMBL700814 0.83 KDM4E (0.67) GPR35CCR2KDM4EALDH1A1HPGD
SCHEMBL4369346 0.82 GPR35 (0.56) GPR35CCR2KDM4EALDH1A1HPGD
SCHEMBL10253811 0.82 KDM4E (0.69) NTRK1GPR35KDM4EALDH1A1HPGD
SCHEMBL28156816 0.81 NTRK1 (0.49) NTRK1CCR2KDM4EALDH1A1HPGD
SCHEMBL4212911 0.81 CCR2 (0.64) NTRK1CCR2ABCB11
SCHEMBL13802513 0.80 NTRK1 (0.50) NTRK1GPR35CCR2KDM4EALDH1A1
SCHEMBL6303252 0.79 CCR2 (0.74) CCR2ABCB11
SCHEMBL7378692 0.77 ALDH1A1 (0.65) GPR35CCR2KDM4EALDH1A1HPGD
SCHEMBL700511 0.77 SRD5A2 (0.73) GPR35CCR2KDM4EALDH1A1HPGD
SCHEMBL6302582 0.77 CCR2 (0.66) NTRK1CCR2ABCB11

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
US-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MADRIGAL PHARMACEUTICALS, INC. 2010-06-10 US claimed
US-8124766-B2 Inhibitors of diacylglycerol acyltransferase MADRIGAL PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
US-8124766-B2 Inhibitors of diacylglycerol acyltransferase MADRIGAL PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
US-8124766-B2 Inhibitors of diacylglycerol acyltransferase MADRIGAL PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
EP-2367817-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Via Pharmaceuticals, Inc. (US) 2011-09-28 EP disclosed
WO-2010065310-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE VIA PHARMACEUTICALS, INC (US) 2010-06-10 WO disclosed
US-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MADRIGAL PHARMACEUTICALS, INC. 2010-06-10 US disclosed
US-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MADRIGAL PHARMACEUTICALS, INC. 2010-06-10 US disclosed
US-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MADRIGAL PHARMACEUTICALS, INC. 2010-06-10 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 (1 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-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT NTRK1 4849/4885GPR35 1008/4885CCR2 4191/4885

“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.