SCHEMBL1764220

SCHEMBL1764220

O=C(NC(c1ccsc1)[PH](=O)O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.48
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 3/20 0.43
CTSL P07711 1/20 0.43
CTSS P25774 1/20 0.43
ATM Q13315 2/20 0.43
CYP3A4 P08684 6/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 4/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
SYK P43405 1/20 0.41
KLK1 P06870 1/20 0.41
CTSK P43235 2/20 0.41
TACR1 P25103 2/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL1764214 1.00 CTRB1 (0.48) CTRB1ALDH1A1CYP1A2CTSLCTSS
SCHEMBL1764071 0.86 CTRB1 (0.52) CTRB1ALDH1A1CYP1A2CTSLCTSS
SCHEMBL7719888 0.86 CTRB1 (0.52) CTRB1ALDH1A1CYP1A2CTSLCTSS
SCHEMBL9834149 0.81 ATM (0.58) CTRB1ALDH1A1CYP1A2CTSLCTSS
SCHEMBL29951738 0.79 CTRB1 (0.49) CTRB1ALDH1A1CYP1A2CTSLCTSS
SCHEMBL9830055 0.77 CTSL (0.50) CTRB1CTSLCTSSATMCYP3A4
SCHEMBL27597014 0.75 MEN1 (0.47) CTRB1ALDH1A1CYP1A2CTSLCTSS
SCHEMBL11364190 0.74 ALDH1A1 (0.46) CTRB1ALDH1A1CYP3A4LMNACYP2C9
SCHEMBL27615641 0.74 ATM (0.45) CTRB1ALDH1A1CYP1A2CTSLCTSS
SCHEMBL1764625 0.73 ATM (0.57) CTRB1CTSLCTSSATMCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10131681-B2 Aminophosphinic derivatives that can be used in the treatment of pain PHARMALEADS (FR) 2018-11-20 US disclosed
US-20140161839-A1 AMINOPHOSPHINIC DERIVATIVES THAT CAN BE USED IN THE TREATMENT OF PAIN PHARMALEADS (FR) 2014-06-12 US disclosed
US-8703747-B2 Aminophosphinic derivatives that can be used in the treatment of pain PHARMALEADS (FR) 2014-04-22 US disclosed
US-20110124601-A1 AMINOPHOSPHINIC DERIVATIVES THAT CAN BE USED IN THE TREATMENT OF PAIN PHARMALEADS 2011-05-26 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 (3 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-20110124601-A1 AMINOPHOSPHINIC DERIVATIVES THAT CAN BE USED IN THE TREATMENT OF PAIN OPRM1, HRH3, HRH4 CTRB1 2680/4885ALDH1A1 3363/4885CYP1A2 779/4885
US-10131681-B2 Aminophosphinic derivatives that can be used in the treatment of pain OPRM1, HRH3, HRH4 CTRB1 2539/4885ALDH1A1 3404/4885CYP1A2 750/4885
US-20140161839-A1 AMINOPHOSPHINIC DERIVATIVES THAT CAN BE USED IN THE TREATMENT OF PAIN OPRM1, HRH3, HRH4 CTRB1 2539/4885ALDH1A1 3404/4885CYP1A2 750/4885

“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.