SCHEMBL3058837

SCHEMBL3058837

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 7/20 0.45
P2RX2 Q9UBL9 7/20 0.45
LDHA P00338 3/20 0.43
LDHB P07195 1/20 0.43
NR1I2 O75469 3/20 0.43
CYP2C9 P11712 1/20 0.43
CTRC Q99895 1/20 0.43
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2A6 P11509 1/20 0.41
CCR1 P32246 1/20 0.41
CCR5 P51681 1/20 0.41
CCR8 P51685 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
P4HA1 P13674 1/20 0.40
P4HTM Q9NXG6 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
SCHEMBL13844386 0.88 P2RX3 (0.44) P2RX3P2RX2NR1I2CYP2C9CYP3A4
SCHEMBL1495762 0.87 LDHA (0.50) P2RX3P2RX2LDHACTRCCYP3A4
SCHEMBL3073168 0.83 NR1I2 (0.44) P2RX3P2RX2LDHALDHBNR1I2
SCHEMBL3075000 0.83 NR1I2 (0.44) P2RX3P2RX2LDHALDHBNR1I2
SCHEMBL3064078 0.83 NR1I2 (0.44) P2RX3P2RX2LDHALDHBNR1I2
SCHEMBL3073172 0.83 NR1I2 (0.44) P2RX3P2RX2LDHALDHBNR1I2
SCHEMBL3474997 0.81 DHODH (0.54) P2RX3P2RX2LDHACTRCRXRA
SCHEMBL2171200 0.80 RAB9A (0.44) P2RX3P2RX2LDHANR1I2CTRC
SCHEMBL358035 0.80 LDHA (0.58) P2RX3P2RX2LDHALDHBNR1I2
SCHEMBL3473972 0.80 LDHA (0.55) LDHACTRCRXRARXRBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2215049-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2019-06-12 EP disclosed
US-8247401-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2012-08-21 US disclosed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 US disclosed
EP-2215049-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN Merck Sharp & Dohme Corp. (US) 2010-08-11 EP disclosed
WO-2009058298-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK & CO., INC. (US) 2009-05-07 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-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 P2RX3 1/4885P2RX2 3/4885LDHA 3593/4885

“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.