SCHEMBL14994077

SCHEMBL14994077

CC(C)(C)c1cc(Cl)ccc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.59
▸ TSHR P16473 1/20 0.59
▸ CASP1 P29466 1/20 0.59
▸ ALDH1A1 P00352 5/20 0.53
▸ TP53 P04637 1/20 0.53
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ MYC P01106 2/20 0.50
▸ SERPINE1 P05121 1/20 0.49
▸ KDM4E B2RXH2 6/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ NR1H4 Q96RI1 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ NR4A1 P22736 1/20 0.46
▸ LMNA P02545 2/20 0.46
▸ RAB9A P51151 2/20 0.45
▸ NPC1 O15118 1/20 0.45

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
SCHEMBL10256214 0.86 NR1H4 (0.49) SMN1; SMN2TSHRCASP1ALDH1A1TP53
SCHEMBL13145679 0.86 ALDH1A1 (0.57) SMN1; SMN2TSHRCASP1ALDH1A1TP53
SCHEMBL28318361 0.85 KDM4E (0.50) SMN1; SMN2TSHRCASP1ALDH1A1KDM4E
SCHEMBL11422801 0.82 NR1H4 (0.49) SMN1; SMN2TSHRCASP1ALDH1A1KDM4E
SCHEMBL14995733 0.82 ABL1 (0.60) SMN1; SMN2ALDH1A1CA1CA2KDM4E
SCHEMBL427243 0.80 SMN1; SMN2 (0.59) SMN1; SMN2TSHRCASP1ALDH1A1TP53
SCHEMBL8599852 0.79 TSHR (0.49) SMN1; SMN2TSHRALDH1A1KDM4EMEN1
SCHEMBL25952739 0.78 CYP3A4 (0.53) SMN1; SMN2TSHRCASP1ALDH1A1TP53
SCHEMBL12162722 0.78 GLRA3 (0.44) SMN1; SMN2TSHRCASP1ALDH1A1TP53
SCHEMBL1355541 0.78 TDP1 (0.54) TSHRTP53CA1CA2MYC

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-2800745-B1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORY, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES PHENEX PHARMACEUTICALS AG (DE) 2020-02-12 — — EP disclosed
US-9815851-B2 Pyrrolo carboxamides as modulators of orphan nuclear receptor RAR-related orphan receptor-gamma (RORγ, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune diseases PHENEX PHARMACEUTICALS AG (DE) 2017-11-14 — — US disclosed
US-20140349987-A1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORy, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES PHENEX PHARMACEUTICALS AG (DE) 2014-11-27 — — US disclosed
EP-2800745-A1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORY, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES Phenex Pharmaceuticals AG (DE) 2014-11-12 — — EP disclosed
WO-2013079223-A1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORϒ, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES PHENEX PHARMACEUTICALS AG (DE) 2013-06-06 — — 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-20140349987-A1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORy, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES RORA, RORB, RORC SMN1; SMN2 3179/4885TSHR 152/4885CASP1 2094/4885

“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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