SCHEMBL3474997

SCHEMBL3474997

Cc1ccc(-c2cc(C(=O)O)cc(-c3ccc(C)cn3)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.54
CTRC Q99895 1/20 0.49
MAP4K4 O95819 1/20 0.48
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
LDHA P00338 2/20 0.45
FABP1 P07148 1/20 0.45
P2RY14 Q15391 1/20 0.45
ALPL P05186 1/20 0.44
CCR1 P32246 1/20 0.44
CCR5 P51681 1/20 0.44
CCR8 P51685 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
SCHEMBL3473972 0.93 LDHA (0.55) DHODHCTRCRXRARXRBLDHA
SCHEMBL1495762 0.91 LDHA (0.50) DHODHCTRCMAP4K4SMN1; SMN2NPC1
SCHEMBL3063243 0.88 P2RX3 (0.44) DHODHCTRCMAP4K4SMN1; SMN2NPC1
SCHEMBL358035 0.84 LDHA (0.58) DHODHCTRCMAP4K4RXRARXRB
SCHEMBL2171200 0.84 RAB9A (0.44) CTRCMAP4K4SMN1; SMN2NPC1RAB9A
SCHEMBL409583 0.84 LDHA (0.44) CTRCMAP4K4SMN1; SMN2NPC1RAB9A
SCHEMBL16196117 0.83 DHODH (0.70) DHODHCTRCMAP4K4RXRARXRB
SCHEMBL3721319 0.83 PTGS2 (0.40) DHODHCTRCMAP4K4SMN1; SMN2NPC1
SCHEMBL3053361 0.82 LDHA (0.43) DHODHCTRCMAP4K4SMN1; SMN2NPC1
SCHEMBL31145162 0.82 SMN1; SMN2 (0.64) MAP4K4RXRARXRBSMN1; SMN2NPC1

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 DHODH 3626/4885CTRC 2925/4885MAP4K4 3099/4885

“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.