SCHEMBL16897539

SCHEMBL16897539

Cc1ccc(C2(C(=O)O)CCOCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.60
▸ ALDH1A1 P00352 3/20 0.53
▸ CYP2C19 P33261 5/20 0.48
▸ AKR1C1 Q04828 1/20 0.47
▸ TSHR P16473 4/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ MAP4K4 O95819 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ USP2 O75604 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ CYP2C9 P11712 3/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ HSD11B1 P28845 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ POLB P06746 1/20 0.43

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
SCHEMBL351393 0.87 AKR1C1 (0.55) LMNAALDH1A1CYP2C19AKR1C1TSHR
SCHEMBL3416397 0.84 LMNA (0.55) LMNAALDH1A1CYP2C19TSHRNPSR1
SCHEMBL1627580 0.83 AKR1C1 (0.68) LMNAALDH1A1CYP2C19AKR1C1TSHR
SCHEMBL3485961 0.83 AKR1C1 (0.62) LMNAALDH1A1CYP2C19AKR1C1TSHR
SCHEMBL1048151 0.83 AKR1C1 (0.68) ALDH1A1CYP2C19AKR1C1TSHRNPSR1
SCHEMBL15897259 0.82 ALDH1A1 (0.49) LMNAALDH1A1CYP2C19AKR1C1TSHR
SCHEMBL166581 0.82 APP (0.50) LMNAALDH1A1CYP2C19AKR1C1TSHR
SCHEMBL196949 0.82 POLB (0.56) LMNAALDH1A1CYP2C19AKR1C1TSHR
SCHEMBL22090138 0.82 HDAC1 (0.53) LMNAALDH1A1CYP2C19AKR1C1TSHR
SCHEMBL2325209 0.82 HDAC1 (0.55) LMNAALDH1A1CYP2C19AKR1C1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3092239-B1 ARYL SULTAM DERIVATIVES AS RORC MODULATORS HOFFMANN LA ROCHE (CH) 2019-10-02 — — EP disclosed
EP-3092239-B1 ARYL SULTAM DERIVATIVES AS RORC MODULATORS HOFFMANN LA ROCHE (CH) 2019-10-02 — — EP disclosed
CN-105899507-B Aryl sultam derivative as RORc regulator 豪夫迈·罗氏有限公司 2019-06-07 — — CN disclosed
US-10131644-B2 Aryl sultam derivatives as RORc modulators GENENTECH, INC. (US) 2018-11-20 — — US disclosed
US-20170137393-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2017-05-18 — — US disclosed
US-20170137393-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2017-05-18 — — US disclosed
EP-3092239-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS F. Hoffmann-La Roche AG (CH) 2016-11-16 — — EP disclosed
CN-105899507-A Aryl sultam derivatives as rorc modulators 豪夫迈·罗氏有限公司 2016-08-24 — — CN disclosed
WO-2015104354-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2015-07-16 — — WO disclosed
WO-2015104354-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2015-07-16 — — 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 (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-10131644-B2 Aryl sultam derivatives as RORc modulators RORC, RORB, RORA LMNA 2201/4885ALDH1A1 577/4885CYP2C19 396/4885
US-20170137393-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS RORC, RORB, RORA LMNA 2201/4885ALDH1A1 577/4885CYP2C19 396/4885

“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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