SCHEMBL3073166

SCHEMBL3073166

Cc1ccc(-c2cc(C(=O)NCC(F)(F)F)cc(C(O)C(F)(F)F)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 10/20 0.41
LMNA P02545 1/20 0.40
AKR1C4 P17516 6/20 0.40
AKR1C2 P52895 5/20 0.40
AKR1C1 Q04828 1/20 0.40
MAPK14 Q16539 1/20 0.37
ULK1 O75385 1/20 0.37
PRKD1 Q15139 1/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
HDAC1 Q13547 1/20 0.35

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
SCHEMBL13092604 0.85 NR1I2 (0.46)
SCHEMBL3068080 0.81 DHODH (0.48) AKR1C3AKR1C2AKR1C1
SCHEMBL13844440 0.79 P2RX3 (0.42) AKR1C3
SCHEMBL3065989 0.76 CA12 (0.39) AKR1C3AKR1C2
SCHEMBL397853 0.74 LMNA (0.56) LMNAMAPK14HDAC1
SCHEMBL13092666 0.73 P2RX3 (0.48)
SCHEMBL13092639 0.73 TP53 (0.40)
SCHEMBL13092665 0.73 NR1I2 (0.36)
SCHEMBL13092652 0.73 NR1I2 (0.40)
SCHEMBL13092616 0.73 P2RX3 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247401-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2012-08-21 US claimed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 US claimed
EP-2215049-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2019-06-12 EP disclosed
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-8247401-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2012-08-21 US 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
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 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
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 AKR1C3 1750/4885LMNA 4068/4885AKR1C4 2861/4885

“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.