Sugi Predict

Sugi Predict / Compounds / SCHEMBL10066070

SCHEMBL10066070

SCHEMBL10066070

Cc1cccc(-c2c(C)ccc[n+]2[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ RAB9A P51151 2/20 0.40
▸ ACHE P22303 1/20 0.38
▸ LMNA P02545 2/20 0.36
▸ PDK1 Q15118 1/20 0.36
▸ PDK2 Q15119 1/20 0.36
▸ PDK3 Q15120 1/20 0.36
▸ PDK4 Q16654 1/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ TSHR P16473 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL1260047 0.83 MAPK14 (0.40) ACHEPDK1PDK2PDK3PDK4
SCHEMBL2407907 0.81 MAPK14 (0.39) ALDH1A1KMT2ARAB9AACHELMNA
SCHEMBL2512414 0.78 ACHE (0.38) ALDH1A1ACHELMNAPDK1PDK2
SCHEMBL10081773 0.78 KMO (0.47) ALDH1A1KMT2ARAB9ALMNAL3MBTL1
SCHEMBL1369546 0.73 MAPK14 (0.41) ALDH1A1KMT2ARAB9AACHETSHR
SCHEMBL1259809 0.73 TSHR (0.42) ALDH1A1KMT2ARAB9AACHEPDK1
SCHEMBL725348 0.72 SLC7A5 (0.40) PDK1PDK2PDK3PDK4
SCHEMBL3792195 0.70 ALDH1A1 (0.47) ALDH1A1KMT2ARAB9ALMNAL3MBTL1
SCHEMBL29373699 0.68 ACHE (0.69) ALDH1A1KMT2ARAB9AACHETSHR
SCHEMBL31471473 0.68 ACHE (0.69) ALDH1A1KMT2ARAB9AACHETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9776968-B2 Processes for producing cycloalkylcarboxamido-pyridine benzoic acids VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-10-03 — — US disclosed
US-20170158676-A9 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-06-08 — — US disclosed
US-20160200712-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-07-14 — — US disclosed
US-9321725-B2 Processes for producing cycloalkylcarboxamido-pyridine benzoic acids VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-04-26 — — US disclosed
US-9012652-B2 Processes for producing cycloalkylcarboxamido-pyridine benzoic acids VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-04-21 — — US disclosed
US-20140330023-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS VERTEX PHARMACEUTICALS INCORPORATED 2014-11-06 — — US disclosed
US-8816093-B2 Processes for producing cycloalkylcarboxamido-pyridine benzoic acids VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-26 — — US disclosed
US-20130274477-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-10-17 — — US disclosed
US-8461342-B2 Processes for producing cycloalkylcarboxamido-pyridine benzoic acids VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-11 — — US disclosed
US-20120203006-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-09 — — US disclosed
US-20120190856-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-26 — — US disclosed
US-8124781-B2 Processes for producing cycloalkylcarboxamido-pyridine benzoic acids VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-28 — — US disclosed
US-20100036130-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-02-11 — — US disclosed
US-20090176989-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS VERTEX PHARMACEUTICALS INCORPORATED 2009-07-09 — — 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 (8 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-20130274477-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS DDC, PCCA, KMO ALDH1A1 389/4885KMT2A 2260/4885RAB9A 3312/4885
US-20120203006-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS DDC, PCCA, KMO ALDH1A1 389/4885KMT2A 2260/4885RAB9A 3312/4885
US-20140330023-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS DDC, PCCA, KMO ALDH1A1 389/4885KMT2A 2260/4885RAB9A 3312/4885
US-20160200712-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS DDC, PCCA, KMO ALDH1A1 389/4885KMT2A 2260/4885RAB9A 3312/4885
US-20090176989-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS DDC, PCCA, KMO ALDH1A1 389/4885KMT2A 2260/4885RAB9A 3312/4885
US-20170158676-A9 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS DDC, PCCA, KMO ALDH1A1 389/4885KMT2A 2260/4885RAB9A 3312/4885
US-20100036130-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS DDC, PCCA, KMO ALDH1A1 389/4885KMT2A 2260/4885RAB9A 3312/4885
US-20120190856-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS DDC, PCCA, KMO ALDH1A1 389/4885KMT2A 2260/4885RAB9A 3312/4885

“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.