SCHEMBL3071034

SCHEMBL3071034

CNC(=S)c1cc(C(=O)O)cc(-c2ccc(C)cn2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.42
NR1I2 O75469 3/20 0.40
LDHA P00338 3/20 0.40
CYP2C9 P11712 1/20 0.39
LDHB P07195 1/20 0.39
P2RX3 P56373 5/20 0.39
P2RX2 Q9UBL9 5/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2A6 P11509 1/20 0.39
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CCR8 P51685 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CTRC Q99895 1/20 0.39
P4HA1 P13674 1/20 0.38
P4HTM Q9NXG6 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
P2RX7 Q99572 1/20 0.37

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
SCHEMBL1495762 0.87 LDHA (0.50) LDHAP2RX3P2RX2CYP3A4CYP2A6
SCHEMBL3071050 0.87 TDP1 (0.40) BAZ2BNR1I2CYP2C9P2RX3P2RX2
SCHEMBL3066010 0.86 BAZ2B (0.54) BAZ2BNR1I2LDHACYP2C9P2RX3
SCHEMBL3070661 0.83 NR1I2 (0.41) BAZ2BNR1I2CYP2C9P2RX3P2RX2
SCHEMBL3066007 0.81 KDM4E (0.48) NR1I2LDHAP2RX3P2RX2CYP3A4
SCHEMBL3053361 0.80 LDHA (0.43) NR1I2LDHACYP2C9P2RX3P2RX2
SCHEMBL3474997 0.79 DHODH (0.54) LDHAP2RX3P2RX2CYP3A4CYP2A6
SCHEMBL3473972 0.78 LDHA (0.55) BAZ2BLDHACYP3A4CYP2A6CCR1
SCHEMBL2171200 0.78 RAB9A (0.44) NR1I2LDHAP2RX3P2RX2CYP3A4
SCHEMBL358035 0.78 LDHA (0.58) NR1I2LDHALDHBP2RX3P2RX2

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
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

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 BAZ2B 2384/4885NR1I2 598/4885LDHA 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.