SCHEMBL12380944

SCHEMBL12380944

CC(C)c1ccc(O)c(O)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 6/20 0.46
▸ GABRB1 P18505 4/20 0.46
▸ GABRB2 P47870 4/20 0.44
▸ LMNA P02545 3/20 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
▸ CYP3A4 P08684 2/20 0.44
▸ FAAH O00519 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ GABRG2 P18507 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ GABRB3 P28472 1/20 0.44
▸ GABRA5 P31644 1/20 0.44
▸ GABRA3 P34903 1/20 0.44
▸ GABRA2 P47869 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
SCHEMBL17444805 0.80 GABRA1 (0.45) GABRA1GABRB1GABRB2LMNASLC6A2
SCHEMBL487169 0.78 GABRA1 (0.56) GABRA1GABRB1GABRB2LMNASLC6A2
SCHEMBL15553081 0.76 LMNA (0.47) GABRA1GABRB1GABRB2LMNASLC6A2
SCHEMBL13748939 0.75 CA1 (0.44) GABRA1GABRB1GABRB2LMNASLC6A2
SCHEMBL6015493 0.74 GABRA1 (0.46) GABRA1GABRB1GABRB2LMNASLC6A2
SCHEMBL15011592 0.74 LMNA (0.50) GABRA1GABRB1GABRB2LMNASLC6A2
SCHEMBL20711666 0.74 LMNA (0.41) GABRA1GABRB1GABRB2LMNASLC6A2
SCHEMBL11850416 0.74 ADRB2 (0.39) LMNACYP3A4CYP1A2TSHRBLM
Hydrochloric Acid SCHEMBL11842180 0.73 ADRB2 (0.38) LMNACYP3A4CYP1A2TSHRBLM
SCHEMBL11850533 0.73 ADRB1 (0.68) LMNACYP3A4CYP1A2HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230287009-A1 OXO-SUBSTITUTED COMPOUND Sumitomo Pharma Co., Ltd. (JP) 2023-09-14 — — US disclosed
US-11702431-B2 Oxo-substituted compound Sumitomo Pharma Co., Ltd. (JP) 2023-07-18 — — US disclosed
US-20230038124-A1 NOVEL SUBSTITUTED CONDENSED RING COMPOUND Sumitomo Pharma Co., Ltd. (JP) 2023-02-09 — — US disclosed
US-20220162209-A1 SALICYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2022-05-26 — — US disclosed
US-11066425-B1 Oxo-substituted compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2021-07-20 — — US disclosed
US-10174053-B2 2 substituted cephem compounds GLAXO GROUP LIMITED (GB) 2019-01-08 — — US disclosed
US-20180186814-A1 TRICYCLIC COMPOUND HAVING SULFINYL OR SULFONYL SHIONOGI & CO., LTD. (JP) 2018-07-05 — — US disclosed
US-20180186814-A1 TRICYCLIC COMPOUND HAVING SULFINYL OR SULFONYL SHIONOGI & CO., LTD. (JP) 2018-07-05 — — 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-9242999-B2 Cephem compound having pyridinium group SHIONOGI & CO., LTD. (JP) 2016-01-26 — — US disclosed
US-9238657-B2 Cephalosporin having catechol group SHIONOGI & CO., LTD. (JP) 2016-01-19 — — 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-20140114060-A1 CEPHEM COMPOUND HAVING PYRIDINIUM GROUP SHIONOGI & CO., LTD. (JP) 2014-04-24 — — US disclosed
US-20140088302-A1 NOVEL CEPHEM COMPOUND HAVING CATECHOL OR PSEUDO-CATECHOL STRUCTURE SHIONOGI & CO., LTD. (JP) 2014-03-27 — — US disclosed
US-20110190254-A1 CEPHALOSPORIN HAVING CATECHOL GROUP SHIONOGI & CO., LTD. (JP) 2011-08-04 — — 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 (13 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-11702431-B2 Oxo-substituted compound CYP51A1, OXA1L, O60361 GABRA1 1353/4885GABRB1 966/4885GABRB2 1342/4885
US-11066425-B1 Oxo-substituted compound CYP51A1, OXA1L, O60361 GABRA1 1353/4885GABRB1 966/4885GABRB2 1342/4885
US-20220162209-A1 SALICYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF ADSL, SLC35B2, ADORA1 GABRA1 1989/4885GABRB1 2090/4885GABRB2 2620/4885
US-20140088302-A1 NOVEL CEPHEM COMPOUND HAVING CATECHOL OR PSEUDO-CATECHOL STRUCTURE COMT, CMBL, CEP170 GABRA1 2889/4885GABRB1 1871/4885GABRB2 1765/4885
US-20110190254-A1 CEPHALOSPORIN HAVING CATECHOL GROUP NRDC, LUC7L2, NR0B1 GABRA1 2133/4885GABRB1 1314/4885GABRB2 1507/4885
US-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS CEP170, CES2, CMBL GABRA1 3836/4885GABRB1 3329/4885GABRB2 2708/4885
US-20230038124-A1 NOVEL SUBSTITUTED CONDENSED RING COMPOUND CYP51A1, HDAC11, MMP9 GABRA1 2036/4885GABRB1 1219/4885GABRB2 1999/4885
US-20180186814-A1 TRICYCLIC COMPOUND HAVING SULFINYL OR SULFONYL SULT1E1, ABCC5, ABCC4 GABRA1 1800/4885GABRB1 1108/4885GABRB2 1268/4885
US-20140114060-A1 CEPHEM COMPOUND HAVING PYRIDINIUM GROUP CEP170, PEPD, CMBL GABRA1 2314/4885GABRB1 1735/4885GABRB2 1763/4885
US-20140256697-A1 CEPHEM DERIVATIVE HAVING CATECHOL GROUP COMT, CEP170, SLC6A3 GABRA1 3990/4885GABRB1 3567/4885GABRB2 3555/4885
US-20230287009-A1 OXO-SUBSTITUTED COMPOUND CYP51A1, OXA1L, O60361 GABRA1 1353/4885GABRB1 966/4885GABRB2 1342/4885
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS CEP170, ABL1, CEPT1 GABRA1 3713/4885GABRB1 3124/4885GABRB2 2610/4885
US-10174053-B2 2 substituted cephem compounds CEP170, CES2, CMBL GABRA1 3836/4885GABRB1 3329/4885GABRB2 2708/4885

“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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