Sugi Predict

Sugi Predict / Compounds / SCHEMBL347036

SCHEMBL347036

SCHEMBL347036

C[C@H](c1ccc(C(F)(F)F)nc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 10/20 0.40
▸ NR1I2 O75469 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ GPR139 Q6DWJ6 1/20 0.37
▸ TRPA1 O75762 2/20 0.37
▸ TRPV4 Q9HBA0 1/20 0.37
▸ TRPV3 Q8NET8 1/20 0.36
▸ TRPM8 Q7Z2W7 1/20 0.35
▸ MLYCD O95822 1/20 0.34
▸ HDAC4 P56524 1/20 0.34

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
SCHEMBL16227529 0.81 L3MBTL1 (0.51) CYP2C9
SCHEMBL26918755 0.80 MMP2 (0.36) —
SCHEMBL26918760 0.80 MMP2 (0.36) —
SCHEMBL347896 0.73 CYP2C9 (0.38) CYP2C9MLYCD
SCHEMBL456756 0.72 CYP2C9 (0.53) P2RX7NR1I2CYP2C9GPR139
SCHEMBL2429212 0.72 ESR1 (0.42) CYP2C9
SCHEMBL1448846 0.72 ESR1 (0.42) CYP2C9
SCHEMBL30003924 0.72 TRPV4 (0.48) P2RX7NR1I2CYP2C9GPR139TRPV4
SCHEMBL27823408 0.72 TRPV4 (0.48) P2RX7NR1I2CYP2C9GPR139TRPV4
SCHEMBL485441 0.72 TRPV4 (0.48) P2RX7NR1I2CYP2C9GPR139TRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946231-B2 P2X3, receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2015-02-03 — — US disclosed
US-8569512-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2013-10-29 — — US disclosed
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain MERCK SHARP & DOHME LLC 2012-03-15 — — US disclosed
US-20120021074-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2012-01-26 — — US disclosed
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2012-01-19 — — US disclosed
US-20110206783-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2011-08-25 — — US disclosed
US-20110003822-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2011-01-06 — — 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 (5 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-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain P2RX3, P2RX1, P2RX2 P2RX7 7/4885NR1I2 598/4885CYP2C9 4126/4885
US-20120021074-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 P2RX7 7/4885NR1I2 579/4885CYP2C9 3902/4885
US-20110206783-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 P2RX7 7/4885NR1I2 579/4885CYP2C9 3902/4885
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 P2RX7 7/4885NR1I2 598/4885CYP2C9 4126/4885
US-20110003822-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 P2RX7 7/4885NR1I2 598/4885CYP2C9 4126/4885

“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.