Sugi Predict

Sugi Predict / Compounds / SCHEMBL12401804

SCHEMBL12401804

SCHEMBL12401804

Cc1cc(C(C)(C)C)cc(C)c1OCC1CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.39
▸ POLB P06746 1/20 0.36
▸ HTR1D P28221 2/20 0.36
▸ ELANE P08246 1/20 0.36
▸ CD69 Q07108 1/20 0.36
▸ CNR2 P34972 4/20 0.35
▸ CNR1 P21554 2/20 0.35
▸ EP300 Q09472 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ PPARG P37231 2/20 0.33
▸ PPARD Q03181 2/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ HTR1B P28222 1/20 0.33
▸ ACACB O00763 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL14943724 0.82 HTR1A (0.42) RIPK1PPARGPPARDKDM4E
SCHEMBL24334343 0.77 KDM4E (0.54) RIPK1CNR2CNR1EP300LMNA
SCHEMBL13296640 0.77 HTR1A (0.37) RIPK1POLBCYP2C9LMNAPPARG
SCHEMBL21350287 0.77 F2 (0.40) RIPK1LMNAACACB
SCHEMBL14877969 0.76 KMT2A (0.43) PPARGPPARDKDM4E
SCHEMBL20347948 0.76 RIPK1 (0.45) RIPK1CNR2CNR1EP300CYP2C9
SCHEMBL2007212 0.75 SRC (0.45) PPARGPPARDPPARA
SCHEMBL21325269 0.75 EP300 (0.42) RIPK1CNR2CNR1EP300
SCHEMBL12401801 0.74 POLB (0.43) POLBHTR1DELANECD69PPARG
SCHEMBL1108324 0.74 ALDH1A1 (0.44) CYP1A2LMNAPPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 — — US disclosed
US-8372873-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-12 — — US disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 — — US disclosed
US-7985762-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 — — US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 — — US disclosed
US-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 — — US disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 — — 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-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 RIPK1 1431/4885POLB 3945/4885HTR1D 2720/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 RIPK1 1431/4885POLB 3945/4885HTR1D 2720/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 RIPK1 1574/4885POLB 4161/4885HTR1D 2934/4885

“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.