Sugi Predict

Sugi Predict / Compounds / SCHEMBL18157039

SCHEMBL18157039

SCHEMBL18157039

O=C1NC(=O)C(Cc2ccc(OCCc3ccc(C(=O)O)cn3)cc2)S1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 14/20 0.74
▸ CYP3A4 P08684 2/20 0.72
▸ RXRA P19793 2/20 0.72
▸ FFAR1 O14842 5/20 0.53
▸ PPARA Q07869 1/20 0.52
▸ MPC2 O95563 2/20 0.52
▸ CYP2C8 P10632 2/20 0.52
▸ CYP2C9 P11712 2/20 0.52
▸ HRH3 Q9Y5N1 1/20 0.50
▸ MEN1 O00255 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL19828385 0.92 PPARG (0.77) PPARGCYP3A4RXRAFFAR1PPARA
SCHEMBL5805530 0.92 PPARG (0.77) PPARGCYP3A4RXRAFFAR1PPARA
SCHEMBL19828521 0.92 PPARG (0.77) PPARGCYP3A4RXRAFFAR1PPARA
SCHEMBL30298863 0.92 PPARG (0.77) PPARGCYP3A4RXRAFFAR1PPARA
SCHEMBL30139865 0.92 PPARG (0.77) PPARGCYP3A4RXRAFFAR1PPARA
Hydrochloric Acid SCHEMBL23200495 0.91 PPARG (0.77) PPARGCYP3A4RXRAFFAR1PPARA
SCHEMBL5669985 0.87 PPARG (0.77) PPARGCYP3A4RXRAFFAR1PPARA
SCHEMBL18541510 0.87 PPARG (0.77) PPARGCYP3A4RXRAFFAR1PPARA
SCHEMBL18541516 0.87 PPARG (0.77) PPARGCYP3A4RXRAFFAR1PPARA
SCHEMBL19828873 0.86 PPARG (0.78) PPARGCYP3A4RXRAFFAR1PPARA

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-20190283010-A1 EX VIVO METHODS FOR PREDICTING AND CONFIRMING IN VIVO METABOLISM OF PHARMACEUTICALLY ACTIVE COMPOUNDS EMPIRIKO CORPORATION 2019-09-19 — — US disclosed
US-10265692-B2 Ex vivo methods for predicting and confirming in vivo metabolism of pharmaceutically active compounds EMPIRIKO CORPORATION (US) 2019-04-23 — — US disclosed
US-20160303553-A1 EX VIVO METHODS FOR PREDICTING AND CONFIRMING IN VIVO METABOLISM OF PHARMACEUTICALLY ACTIVE COMPOUNDS EMPIRIKO CORPORATION 2016-10-20 — — US disclosed
US-20160303553-A1 EX VIVO METHODS FOR PREDICTING AND CONFIRMING IN VIVO METABOLISM OF PHARMACEUTICALLY ACTIVE COMPOUNDS EMPIRIKO CORPORATION 2016-10-20 — — 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-20190283010-A1 EX VIVO METHODS FOR PREDICTING AND CONFIRMING IN VIVO METABOLISM OF PHARMACEUTICALLY ACTIVE COMPOUNDS CYP3A43, CYP3A4, CYP2D6 PPARG 769/4885CYP3A4 2/4885RXRA 957/4885
US-20160303553-A1 EX VIVO METHODS FOR PREDICTING AND CONFIRMING IN VIVO METABOLISM OF PHARMACEUTICALLY ACTIVE COMPOUNDS CYP3A43, CYP3A4, CYP2D6 PPARG 769/4885CYP3A4 2/4885RXRA 957/4885
US-10265692-B2 Ex vivo methods for predicting and confirming in vivo metabolism of pharmaceutically active compounds CYP3A43, CYP3A4, CYP2D6 PPARG 769/4885CYP3A4 2/4885RXRA 957/4885

“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.