SCHEMBL15631302

SCHEMBL15631302

CC(C)c1ccc(O)c(O)c1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 3/20 0.57
▸ ADRB2 P07550 2/20 0.57
▸ ADRA2A P08913 2/20 0.57
▸ ADRA2B P18089 2/20 0.57
▸ ADRA2C P18825 2/20 0.57
▸ ADRA1B P35368 1/20 0.57
▸ ADRB1 P08588 1/20 0.56
▸ ADRB3 P13945 1/20 0.56
▸ GABRA1 P14867 5/20 0.44
▸ GABRB2 P47870 3/20 0.44
▸ GABRB1 P18505 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ SLC6A2 P23975 2/20 0.44
▸ HTR2B P41595 2/20 0.44
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ FAAH O00519 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ HPGD P15428 1/20 0.44

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
SCHEMBL20443883 0.84 ADRA1A (0.45) ADRA1AADRB2ADRA2AADRA2BADRA2C
SCHEMBL19249192 0.82 GABRA1 (0.50) ADRA1AADRB2ADRA2AADRA2BADRA2C
SCHEMBL14951743 0.82 GABRA1 (0.44) ADRA1AADRB2ADRA2AADRA2BADRA2C
SCHEMBL27956120 0.80 ADRA1A (0.42) ADRA1AADRB2ADRA2AADRA2BADRA2C
SCHEMBL13005034 0.80 GABRA1 (0.43) ADRA1AADRB2ADRA2AADRA2BADRA2C
SCHEMBL20711666 0.78 LMNA (0.41) ADRA1AADRB2ADRA2AADRA2BADRA2C
SCHEMBL487169 0.78 GABRA1 (0.56) ADRA1AADRB2ADRA2AADRA2BADRA2C
SCHEMBL9095132 0.78 ADRA2A (0.58) ADRA1AADRB2ADRA2AADRA2BADRA2C
SCHEMBL9095138 0.78 ADRA2A (0.58) ADRA1AADRB2ADRA2AADRA2BADRA2C
SCHEMBL12173269 0.77 EIF4A3 (0.41) ADRA1AADRB2ADRB1ADRB3GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220162209-A1 SALICYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2022-05-26 — — US disclosed
US-10174053-B2 2 substituted cephem compounds GLAXO GROUP LIMITED (GB) 2019-01-08 — — US disclosed
US-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2017-10-05 — — US disclosed
US-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2017-10-05 — — US disclosed
US-9334289-B2 Cephem compound having catechol or pseudo-catechol structure SHIONOGI & CO., LTD. (JP) 2016-05-10 — — US disclosed
US-9290515-B2 Cephem derivative having catechol group SHIONOGI & CO., LTD (JP) 2016-03-22 — — US disclosed
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LTD (GB) 2015-10-22 — — US disclosed
US-20140256697-A1 CEPHEM DERIVATIVE HAVING CATECHOL GROUP SHIONOGI & CO., LTD. (JP) 2014-09-11 — — US disclosed
US-20140088302-A1 NOVEL CEPHEM COMPOUND HAVING CATECHOL OR PSEUDO-CATECHOL STRUCTURE SHIONOGI & CO., LTD. (JP) 2014-03-27 — — 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 (6 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-20220162209-A1 SALICYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF ADSL, SLC35B2, ADORA1 ADRA1A 1269/4885ADRB2 1532/4885ADRA2A 1861/4885
US-20140088302-A1 NOVEL CEPHEM COMPOUND HAVING CATECHOL OR PSEUDO-CATECHOL STRUCTURE COMT, CMBL, CEP170 ADRA1A 1727/4885ADRB2 916/4885ADRA2A 2034/4885
US-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS CEP170, CES2, CMBL ADRA1A 3832/4885ADRB2 2846/4885ADRA2A 2852/4885
US-20140256697-A1 CEPHEM DERIVATIVE HAVING CATECHOL GROUP COMT, CEP170, SLC6A3 ADRA1A 771/4885ADRB2 602/4885ADRA2A 989/4885
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS CEP170, ABL1, CEPT1 ADRA1A 3017/4885ADRB2 1492/4885ADRA2A 2726/4885
US-10174053-B2 2 substituted cephem compounds CEP170, CES2, CMBL ADRA1A 3832/4885ADRB2 2846/4885ADRA2A 2852/4885

“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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