Sugi Predict

Sugi Predict / Compounds / SCHEMBL7792001

SCHEMBL7792001

SCHEMBL7792001

COc1cc(OC(C)C)ccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ CRHR1 P34998 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ERN1 O75460 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ GRM4 Q14833 1/20 0.39
▸ PARP10 Q53GL7 1/20 0.39
▸ TUBB4A P04350 1/20 0.39
▸ TUBB P07437 1/20 0.39

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
SCHEMBL31254048 1.00 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL31063385 0.86 ALDH1A1 (0.52) CA12CA1CA2CA7CA9
SCHEMBL3931086 0.86 ALDH1A1 (0.52) CA12CA1CA2CA7CA9
SCHEMBL16333697 0.85 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL9256790 0.84 ALDH1A1 (0.47) ALDH1A1MAPTKMT2APARP10BRD4
SCHEMBL30571340 0.83 MEN1 (0.43) CA12CA1CA2CA7CA9
SCHEMBL20562225 0.83 MEN1 (0.43) CA12CA1CA2CA7CA9
SCHEMBL9931479 0.82 ALDH1A1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL10636549 0.82 CA2 (0.64) CA12CA1CA2CA7CA9
SCHEMBL14127541 0.81 CA12 (0.62) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2785690-B1 PIPERIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2016-07-13 — — EP disclosed
EP-2794586-B1 NEW AZIRIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS ACETYL-COA CARBOXYLASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-04-20 — — EP disclosed
EP-2588451-B1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INT (DE) 2015-12-30 — — EP disclosed
US-9006450-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-14 — — US disclosed
US-9006450-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-14 — — US disclosed
US-8759528-B2 Piperidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 — — US disclosed
US-8759528-B2 Piperidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 — — US disclosed
US-8530460-B2 Azetidine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-10 — — US disclosed
US-8530460-B2 Azetidine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-10 — — US disclosed
WO-2013092616-A1 NEW AZIRIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS ACETYL-COA CARBOXYLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-27 — — WO disclosed
US-20130143876-A1 New piperidine derivatives, pharmaceutical compositions and uses thereof ROTH GERALD JUERGEN (DE) 2013-06-06 — — US disclosed
US-20130143876-A1 New piperidine derivatives, pharmaceutical compositions and uses thereof ROTH GERALD JUERGEN (DE) 2013-06-06 — — US disclosed
US-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 — — US disclosed
US-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 — — US disclosed
CN-1086700-C Benzothiophene compounds, intermediates, compositions, and methods LILLY CO ELI (US) 2002-06-26 — — CN disclosed
EP-0906268-B1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS AVENTIS PHARMA INC (US) 2001-11-28 — — EP disclosed
US-6004959-A HYPOTENSIVE, ANTITUMOR, ANTIINFLAMMATORY AND ANTIASTHMATIC AGENTS; ANGIOGENESIS AND ALVEOLAR MACROPHAGE ACTIVATION INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 — — US disclosed
EP-0906268-A1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-04-07 — — EP disclosed
WO-1997045397-A1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1997-12-04 — — WO disclosed
CN-1159448-A Benzothiophene compounds, intermediates, compositions, and methods LILLY CO ELI (US) 1997-09-17 — — CN 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 (2 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-20130143876-A1 New piperidine derivatives, pharmaceutical compositions and uses thereof P2RX5, PIR, P2RX4 CA12 4799/4885CA1 4635/4885CA2 2811/4885
US-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF P2RX5, P2RX3, ABCG2 CA12 3515/4885CA1 3710/4885CA2 1350/4885

“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.