SCHEMBL12903901

SCHEMBL12903901

COC(=O)C(NC(=O)OCc1ccccc1)P(C)(C)=O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KYNU Q16719 1/20 0.60
▸ ELANE P08246 2/20 0.55
▸ TRPM8 Q7Z2W7 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ CTRB1 P17538 2/20 0.52
▸ ATM Q13315 2/20 0.52
▸ PRTN3 P24158 2/20 0.52
▸ ACE2 Q9BYF1 1/20 0.51
▸ CTSK P43235 2/20 0.50
▸ TACR1 P25103 1/20 0.50
▸ KLK1 P06870 1/20 0.50
▸ MME P08473 1/20 0.49
▸ ECE1 P42892 1/20 0.49

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
SCHEMBL1068881 0.91 KYNU (0.60) KYNUELANETRPM8ALDH1A1ALOX15
SCHEMBL18082610 0.89 KYNU (0.60) KYNUELANETRPM8ALDH1A1ALOX15
SCHEMBL29678939 0.87 KYNU (0.62) KYNUELANETRPM8ALDH1A1ALOX15
SCHEMBL269404 0.87 KYNU (0.62) KYNUELANETRPM8ALDH1A1ALOX15
SCHEMBL187849 0.87 KYNU (0.62) KYNUELANETRPM8ALDH1A1ALOX15
SCHEMBL21627154 0.85 KYNU (0.59) KYNUELANETRPM8ALDH1A1ALOX15
SCHEMBL29112134 0.85 KYNU (0.56) KYNUELANETRPM8ALDH1A1ALOX15
SCHEMBL846125 0.84 CTRB1 (0.54) KYNUELANECTRB1ATMPRTN3
SCHEMBL1239037 0.83 KYNU (0.55) KYNUELANETRPM8ALDH1A1ALOX15
SCHEMBL14981588 0.83 ALDH1A1 (0.56) KYNUELANETRPM8ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170298097-A1 Peptide Derivatives and Uses Thereof NOSOPHARM (FR) 2017-10-19 — — US disclosed
US-20170283434-A1 NK1 ANTAGONISTS OPKO HEALTH INC (US) 2017-10-05 — — US disclosed
US-9688693-B2 NK1 antagonists OPKO HEALTH, INC. (US) 2017-06-27 — — US disclosed
US-20140336158-A1 NK1 ANTAGONISTS TERSERA THERAPEUTICS LLC 2014-11-13 — — US disclosed
US-8796299-B2 NK1 antagonists OPKO HEALTH, INC. (US) 2014-08-05 — — US disclosed
US-20130023503-A1 NK1 ANTAGONISTS OPKO HEALTH, INC. (US) 2013-01-24 — — US disclosed
US-8329935-B2 Process for producing phosphorus-containing dehydroamino acid MEJI SEIKA KAISHA LTD. (JP) 2012-12-11 — — US disclosed
US-20110009662-A1 PROCESS FOR PRODUCING PHOSPHORUS-CONTAINING DEHYDROAMINO ACID MEIJI SEIKA KAISHA LTD. (JP) 2011-01-13 — — 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-20170283434-A1 NK1 ANTAGONISTS HRH4, CRHR2, HRH2 KYNU 416/4885ELANE 1476/4885TRPM8 723/4885
US-20140336158-A1 NK1 ANTAGONISTS HRH4, CRHR2, HRH2 KYNU 416/4885ELANE 1476/4885TRPM8 723/4885
US-20130023503-A1 NK1 ANTAGONISTS HRH4, CRHR2, HRH2 KYNU 416/4885ELANE 1476/4885TRPM8 723/4885
US-20110009662-A1 PROCESS FOR PRODUCING PHOSPHORUS-CONTAINING DEHYDROAMINO ACID AMPD2, AMPD1, AMPD3 KYNU 3432/4885ELANE 4828/4885TRPM8 4511/4885
US-20170298097-A1 Peptide Derivatives and Uses Thereof VIP, IAPP, NGLY1 KYNU 2575/4885ELANE 375/4885TRPM8 4227/4885

“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.

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