Sugi Predict

Sugi Predict / Compounds / SCHEMBL12827126

SCHEMBL12827126

SCHEMBL12827126

CCc1ccc2c(c1)cc(C(C)(C)C)n2C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.40
▸ CYP2A6 P11509 1/20 0.40
▸ MEN1 O00255 10/20 0.39
▸ KMT2A Q03164 10/20 0.39
▸ MAPT P10636 6/20 0.39
▸ ALDH1A1 P00352 6/20 0.39
▸ HPGD P15428 7/20 0.37
▸ ALOX15 P16050 6/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ GAA P10253 4/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ CYP2C19 P33261 3/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CYP2D6 P10635 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ PABPC1 P11940 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ RECQL P46063 2/20 0.35
▸ POLB P06746 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
SCHEMBL14845722 0.77 MAPT (0.50) CYP1A2CYP2A6MEN1KMT2AMAPT
SCHEMBL12745353 0.77 KCNH2 (0.49) CYP1A2MEN1KMT2AMAPTALDH1A1
SCHEMBL16979076 0.77 CYP1A2 (0.44) CYP1A2CYP2A6MEN1KMT2AMAPT
SCHEMBL1465796 0.75 BRPF1 (0.53) CYP2A6MEN1KMT2AMAPTALDH1A1
SCHEMBL10139087 0.72 KMT2A (0.50) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL24392772 0.71 KDM4E (0.40) CYP1A2CYP2A6MEN1KMT2AMAPT
SCHEMBL763370 0.70 BRPF1 (0.59) CYP1A2CYP2A6CYP2D6AKR1C3AKR1C2
SCHEMBL9613258 0.70 HSD17B10 (0.62) CYP1A2MEN1KMT2AALDH1A1HPGD
SCHEMBL24188494 0.69 KDM4E (0.42) CYP1A2MEN1KMT2AMAPTALDH1A1
SCHEMBL2604389 0.69 MAPT (0.47) MEN1KMT2AMAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110071206-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-24 — — US disclosed
US-20100113555-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-06 — — US disclosed
US-7645789-B2 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-12 — — US disclosed
US-20090131492-A1 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED 2009-05-21 — — 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 (3 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-20110071206-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 CYP1A2 2202/4885CYP2A6 1094/4885MEN1 4687/4885
US-20090131492-A1 Indole derivatives as CFTR modulators CFTR, ABCB1, ABCB11 CYP1A2 1231/4885CYP2A6 1353/4885MEN1 4672/4885
US-20100113555-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 CYP1A2 2202/4885CYP2A6 1094/4885MEN1 4687/4885

“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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