Sugi Predict

Sugi Predict / Compounds / SCHEMBL1955445

SCHEMBL1955445

SCHEMBL1955445

CC(C)CN1CCC[C@H]1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.51
▸ ACE P12821 6/20 0.49
▸ REN P00797 4/20 0.49
▸ LMNA P02545 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ F2 P00734 1/20 0.49
▸ LTA4H P09960 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ PEPD P12955 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ PTGS1 P23219 1/20 0.49
▸ HTR2A P28223 1/20 0.49
▸ PTGS2 P35354 1/20 0.49
▸ HRH1 P35367 1/20 0.49
▸ THPO P40225 1/20 0.49
▸ PMP22 Q01453 1/20 0.49
▸ ACE2 Q9BYF1 1/20 0.49
▸ CNR1 P21554 1/20 0.42
▸ CNR2 P34972 1/20 0.42

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
SCHEMBL3138576 1.00 RAB9A (0.51) RAB9AACERENLMNAHSD17B10
SCHEMBL3138588 1.00 RAB9A (0.51) RAB9AACERENLMNAHSD17B10
SCHEMBL3711047 0.95 CNR1 (0.47) RAB9AACERENLMNAHSD17B10
SCHEMBL3711045 0.95 CNR1 (0.47) RAB9AACERENLMNAHSD17B10
SCHEMBL5702070 0.89 RAB9A (0.42) RAB9AACERENLMNAHSD17B10
SCHEMBL11543098 0.89 RAB9A (0.42) RAB9AACERENLMNAHSD17B10
SCHEMBL5701940 0.89 RAB9A (0.42) RAB9AACERENLMNAHSD17B10
SCHEMBL13502493 0.87 ACE (0.47) RAB9AACERENLMNAHSD17B10
SCHEMBL13502383 0.87 ACE (0.47) RAB9AACERENLMNAHSD17B10
SCHEMBL12426957 0.86 F2 (0.49) RAB9AACERENLMNAHSD17B10

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438040-A2 STEREOSELECTIVE SYNTHESIS OF CERTAIN TRIFLUOROMETHYL-SUBSTITUTED ALCOHOLS Boehringer Ingelheim International GmbH (DE) 2012-04-11 — — EP claimed
US-20110130591-A1 STEROSELECTIVE SYNTHESIS OF CERTAIN TRIFLUOROMETHYL-SUBSTITUTED ALCOHOLS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-02 — — US claimed
WO-2010141328-A2 STEREOSELECTIVE SYNTHESIS OF CERTAIN TRIFLUOROMETHYL-SUBSTITUTED ALCOHOLS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-09 — — WO claimed
EP-3155436-B1 ISOBARIC MASS LABELS ELECTROPHORETICS LTD (GB) 2023-08-30 — — EP disclosed
US-9834543-B2 Indazoles and use thereof PURDUE PHARMA L.P. (US) 2017-12-05 — — US disclosed
US-9834543-B2 Indazoles and use thereof PURDUE PHARMA L.P. (US) 2017-12-05 — — US disclosed
US-20170146549-A1 ISOBARIC MASS LABELS ELECTROPHORETICS LIMITED (GB) 2017-05-25 — — US disclosed
EP-3155436-A1 ISOBARIC MASS LABELS Electrophoretics Limited (GB) 2017-04-19 — — EP disclosed
US-20170001986-A1 INDAZOLES AND USE THEREOF PURDUE PHARMA L.P. 2017-01-05 — — US disclosed
WO-2015189413-A1 ISOBARIC MASS LABELS ELECTROPHORETICS LIMITED (GB) 2015-12-17 — — WO disclosed
US-8546388-B2 Heterocyclic TRPV1 receptor ligands PURDUE PHARMA L.P. (US) 2013-10-01 — — US disclosed
US-20110130591-A1 STEROSELECTIVE SYNTHESIS OF CERTAIN TRIFLUOROMETHYL-SUBSTITUTED ALCOHOLS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-02 — — US disclosed
US-7939513-B2 Tetracycline derivatives as antibacterial agents DR. REDDY'S LABORATORIES LIMITED (IN) 2011-05-10 — — US disclosed
US-7939513-B2 Tetracycline derivatives as antibacterial agents DR. REDDY'S LABORATORIES LIMITED (IN) 2011-05-10 — — US disclosed
WO-2010141328-A2 STEREOSELECTIVE SYNTHESIS OF CERTAIN TRIFLUOROMETHYL-SUBSTITUTED ALCOHOLS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-09 — — WO disclosed
US-20100137306-A1 HETEROCYCLIC TRPV1 RECEPTOR LIGANDS PURDUE PHARMA L.P. 2010-06-03 — — US disclosed
WO-2009073056-A1 NOVEL TETRACYCLINE DERIVATIVES AS ANTIBACTERIAL AGENTS DR. REDDY'S LABORATORIES LTD. (IN) 2009-06-11 — — WO disclosed
US-20090111776-A1 Novel tetracycline derivatives as antibacterial agents DR. REDDY'S LABORATORIES LTD. (IN) 2009-04-30 — — US disclosed
US-20090111776-A1 Novel tetracycline derivatives as antibacterial agents DR. REDDY'S LABORATORIES LTD. (IN) 2009-04-30 — — US disclosed
US-20070015823-A1 Ambruticin VS compounds KOSAN BIOSCIENCES INCORPORATED 2007-01-18 — — 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-20070015823-A1 Ambruticin VS compounds ERG28, O60361, CYP51A1 RAB9A 2051/4885ACE 3636/4885REN 2642/4885
US-20090111776-A1 Novel tetracycline derivatives as antibacterial agents TREH, TEAD1, TET1 RAB9A 530/4885ACE 1502/4885REN 349/4885
US-20170001986-A1 INDAZOLES AND USE THEREOF TRPV3, TRPA1, TRPV1 RAB9A 1463/4885ACE 3087/4885REN 428/4885
US-20100137306-A1 HETEROCYCLIC TRPV1 RECEPTOR LIGANDS TRPV1, TRPA1, TRPV2 RAB9A 1368/4885ACE 4382/4885REN 2519/4885
US-20110130591-A1 STEROSELECTIVE SYNTHESIS OF CERTAIN TRIFLUOROMETHYL-SUBSTITUTED ALCOHOLS ADH1C, CBR1, ADH1A RAB9A 3025/4885ACE 4031/4885REN 1925/4885
US-20170146549-A1 ISOBARIC MASS LABELS SRMS, PTMS, QPCTL RAB9A 891/4885ACE 1047/4885REN 22/4885

“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.