SCHEMBL3473972

SCHEMBL3473972

Cc1ccc(-c2cc(C(=O)O)cc(-c3ccccc3)c2)nc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.55
DHODH Q02127 4/20 0.52
FABP1 P07148 1/20 0.50
P2RY14 Q15391 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2A6 P11509 1/20 0.50
CTRC Q99895 2/20 0.48
KMO O15229 2/20 0.47
BAZ2B Q9UIF8 1/20 0.46
EGFR P00533 1/20 0.44
CCR1 P32246 1/20 0.43
CCR5 P51681 1/20 0.43
CCR8 P51685 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 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
SCHEMBL3474997 0.93 DHODH (0.54) LDHADHODHFABP1P2RY14CYP3A4
SCHEMBL1495762 0.89 LDHA (0.50) LDHADHODHCYP3A4CYP2A6CTRC
SCHEMBL3063243 0.87 P2RX3 (0.44) LDHADHODHCYP3A4CYP2A6CTRC
SCHEMBL24365554 0.86 LDHA (0.56) LDHADHODHCYP3A4CYP2A6KMO
SCHEMBL31145138 0.86 LDHA (0.56) LDHADHODHCYP3A4CYP2A6KMO
SCHEMBL3476171 0.84 DHODH (0.49) LDHADHODHCYP3A4CYP2A6CTRC
SCHEMBL2480995 0.82 CYP3A4 (0.56) LDHACYP3A4CYP2A6KMOCCR1
SCHEMBL2171200 0.82 RAB9A (0.44) LDHACYP3A4CYP2A6CTRCCCR1
SCHEMBL358035 0.82 LDHA (0.58) LDHADHODHCYP3A4CYP2A6CTRC
SCHEMBL409583 0.82 LDHA (0.44) LDHACYP3A4CYP2A6CTRCCCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133122-B2 Amide compounds, compositions and uses thereof EVOTEC AG (DE) 2015-09-15 US disclosed
US-20140323532-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2014-10-30 US disclosed
WO-2010033168-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2010-03-25 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 (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-20140323532-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF IL1B, ADORA2B, AVPR1B LDHA 208/4885DHODH 3626/4885FABP1 1608/4885

“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.