Sugi Predict

Sugi Predict / Compounds / SCHEMBL16852471

SCHEMBL16852471

SCHEMBL16852471

Cc1ccc(C(C)(C)O)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.56
▸ CYP2A6 P11509 3/20 0.44
▸ ALDH1A1 P00352 4/20 0.38
▸ ACE2 Q9BYF1 1/20 0.36
▸ TSHR P16473 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GRIN2D O15399 1/20 0.35
▸ GRIN3B O60391 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2A Q12879 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ GRIN2C Q14957 1/20 0.35
▸ GRIN3A Q8TCU5 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SLC22A12 Q96S37 1/20 0.34
▸ NR3C1 P04150 1/20 0.34

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
SCHEMBL547654 0.89 MEN1 (0.41) CYP1A2ALDH1A1ACE2TSHRMAPT
SCHEMBL2858633 0.84 CYP1A2 (0.59) CYP1A2CYP2A6ALDH1A1TSHRMAPT
SCHEMBL7831783 0.82 CYP1A2 (0.62) CYP1A2CYP2A6ALDH1A1TSHRMAPT
SCHEMBL1772271 0.79 CYP1A2 (0.46) CYP1A2CYP2A6ALDH1A1TSHRMAPT
SCHEMBL548252 0.79 CA2 (0.46) CYP1A2CYP2A6ALDH1A1ACE2TSHR
SCHEMBL16852472 0.78 KDM4E (0.54) CYP1A2ALDH1A1MAPTMEN1KMT2A
SCHEMBL1538509 0.77 CYP1A2 (0.62) CYP1A2CYP2A6ALDH1A1TSHRMAPT
SCHEMBL15538116 0.77 RXFP1 (0.42) ALDH1A1ACE2MAPTMEN1KMT2A
SCHEMBL18077899 0.77 MEN1 (0.42) CYP1A2ALDH1A1ACE2TSHRMAPT
SCHEMBL20414568 0.76 IDO1 (0.48) CYP1A2CYP2A6ALDH1A1TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9458104-B2 Carboxamide or sulfonamide substituted nitrogen-containing 5-membered heterocycles as modulators for the orphan nuclear receptor RORγ PHENEX PHARMACEUTICALS AG (DE) 2016-10-04 — — US disclosed
US-20150344423-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED NITROGEN-CONTAINING 5-MEMBERED HETEROCYCLES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR GAMMA PHENEX PHARMACEUTICALS AG (DE) 2015-12-03 — — US disclosed
US-20150175562-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED THIAZOLES AND RELATED DERIVATIVES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR[GAMMA] PHENEX PHARMACEUTICALS AG (DE) 2015-06-25 — — 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 (2 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-20150175562-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED THIAZOLES AND RELATED DERIVATIVES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR[GAMMA] RORA, RORB, RORC CYP1A2 461/4885CYP2A6 533/4885ALDH1A1 688/4885
US-20150344423-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED NITROGEN-CONTAINING 5-MEMBERED HETEROCYCLES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR GAMMA RORA, RORB, RORC CYP1A2 622/4885CYP2A6 770/4885ALDH1A1 1474/4885

“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.