Sugi Predict

Sugi Predict / Compounds / SCHEMBL9689

SCHEMBL9689

SCHEMBL9689

CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4C(N)(c4cn(Cc5ccccc5)nn4)S(C)(=O)=O)cc3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ CYP2C9 P11712 3/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ABCC3 O15438 1/20 0.35
▸ ABCC4 O15439 1/20 0.35
▸ ABCB11 O95342 1/20 0.35
▸ CYP2C8 P10632 1/20 0.35
▸ ABCB4 P21439 1/20 0.35
▸ LPAR1 Q92633 1/20 0.35
▸ ABCC2 Q92887 1/20 0.35
▸ SLCO1B3 Q9NPD5 1/20 0.35
▸ SLCO1B1 Q9Y6L6 1/20 0.35
▸ OPRM1 P35372 6/20 0.35
▸ OPRD1 P41143 4/20 0.35
▸ OPRK1 P41145 4/20 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
SCHEMBL9900 0.81 ALDH1A1 (0.42) ALDH1A1LMNACYP2C9KDM4ENPSR1
SCHEMBL9690 0.79 ALDH1A1 (0.38) ALDH1A1LMNACYP2C9CYP3A4CYP2D6
SCHEMBL9691 0.79 LPAR1 (0.38) ALDH1A1LMNACYP2C9CYP3A4CYP2D6
SCHEMBL9948 0.78 ALDH1A1 (0.41) ALDH1A1LMNACYP2C9KDM4ENPSR1
SCHEMBL10409 0.77 ABCC3 (0.40) ALDH1A1LMNACYP2C9KDM4ENPSR1
SCHEMBL4692 0.77 LPAR1 (0.38) ALDH1A1LMNACYP2C9KDM4ENPSR1
SCHEMBL9630 0.75 SPHK2 (0.42) ALDH1A1LMNACYP2C9ABCC3ABCC4
SCHEMBL13719533 0.73 KCNA3 (0.42) LMNACYP2C9KDM4ENPSR1ABCC3
SCHEMBL2335 0.72 KCNA3 (0.47) ALDH1A1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL9902 0.72 KDM4E (0.36) ALDH1A1LMNACYP2C9KDM4ENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483251-B1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2016-10-26 — — EP disclosed
US-8664220-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-03-04 — — US disclosed
US-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2013-03-21 — — US disclosed
EP-2483251-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 — — EP disclosed
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 — — WO 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 (1 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-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 ALDH1A1 3990/4885LMNA 647/4885CYP2C9 4650/4885

“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.