Sugi Predict

Sugi Predict / Compounds / SCHEMBL2005648

SCHEMBL2005648

SCHEMBL2005648

C/C(=C\c1ccc(C(C)(C)C)cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.62
▸ CYP1A2 P05177 1/20 0.52
▸ MPL P40238 1/20 0.48
▸ TRPV1 Q8NER1 2/20 0.47
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ SRD5A2 P31213 1/20 0.44
▸ ESRRG P62508 1/20 0.44
▸ TBXAS1 P24557 5/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CYP2C9 P11712 1/20 0.42
▸ MITF O75030 1/20 0.42
▸ GAA P10253 1/20 0.42

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
SCHEMBL2005650 1.00 AKR1C3 (0.62) AKR1C3CYP1A2MPLTRPV1CA1
SCHEMBL28961064 0.98 AKR1C3 (0.60) AKR1C3CYP1A2MPLTRPV1CA1
SCHEMBL4797439 0.95 AKR1C3 (0.56) AKR1C3CYP1A2MPLTRPV1CA1
SCHEMBL27890491 0.89 AKR1C3 (0.62) AKR1C3CYP1A2MPLTRPV1ESRRG
SCHEMBL9609534 0.86 CYP1A2 (0.53) AKR1C3CYP1A2TRPV1CA1CA2
SCHEMBL2462983 0.85 AKR1C3 (0.82) AKR1C3TBXAS1ALDH1A1KDM4EHTT
SCHEMBL2462984 0.85 AKR1C3 (0.82) AKR1C3TBXAS1ALDH1A1KDM4EHTT
SCHEMBL532462 0.84 AKR1C3 (0.67) AKR1C3TBXAS1MEN1KMT2ASMN1; SMN2
SCHEMBL532463 0.84 AKR1C3 (0.67) AKR1C3TBXAS1MEN1KMT2ASMN1; SMN2
SCHEMBL6933104 0.83 AKR1C3 (0.60) AKR1C3CYP1A2SRD5A2TBXAS1HDAC1

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111253236-B Preparation method of high-quality para-lilial 宿迁科思化学有限公司 2022-11-18 — — CN claimed
CN-111253236-B Preparation method of high-quality para-lilial 宿迁科思化学有限公司 2022-11-18 — — CN disclosed
US-11020333-B2 Organic compounds GIVAUDAN S.A. (CH) 2021-06-01 — — US disclosed
CN-111253236-A Preparation method of high-quality para-lilial 宿迁科思化学有限公司 2020-06-09 — — CN disclosed
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 — — EP disclosed
US-8772307-B2 Substituted spiro compounds and their use for producing pain-relief medicaments GRUENENTHAL GMBH (DE) 2014-07-08 — — US disclosed
US-8772307-B2 Substituted spiro compounds and their use for producing pain-relief medicaments GRUENENTHAL GMBH (DE) 2014-07-08 — — US disclosed
EP-1861357-B1 NOVEL COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORP (KR) 2013-04-24 — — EP disclosed
CN-101142174-B Novel compound as vanilloid receptor antagonist, isomer thereof or pharmaceutically acceptable salt thereof, and pharmaceutical composition comprising the same AMOREPACIFIC CORP 2012-05-09 — — CN disclosed
US-7960584-B2 3-(4-t-butyl-phenyl)-N-(4-methanesulfonylamino-benzyl)-2-methyl-acrylamide; pain, migraine, arthralgia, neuralgia, neuropathies, nerve injury, skin disorder, urinary bladder hypersensitiveness, irritable bowel syndrome, fecal urgency, a respiratory disorder, irritation of skin, eye or mucous membrane AMOREPACIFIC CORPORATION (KR) 2011-06-14 — — US disclosed
US-20050227986-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-10-13 — — US disclosed
EP-1463714-A2 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2004-10-06 — — EP disclosed
US-20040062939-A1 Polymerizable composition and planogaphic printing plate precursor using the same FUJI PHOTO FILM CO., LTD. 2004-04-01 — — US disclosed
EP-1400851-A2 Polymerizable composition and planographic printing plate precursor using the same FUJI PHOTO FILM CO., LTD. (JP) 2004-03-24 — — EP disclosed
US-20030195201-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2003-10-16 — — US disclosed
WO-2003049702-A2 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2003-06-19 — — WO disclosed
EP-0372213-B1 PROTECTIVE METHYCRYLATE LAYER FOR POLYCARBONATE, CONTAINING A UV ABSORBER RÖHM GMBH (DE) 1993-05-19 — — EP disclosed
EP-0297285-B1 COMPATIBLE BLENDS OF POLYCARBONATE AND POLYMETHACRYLATE RÖHM GMBH (DE) 1992-10-14 — — EP disclosed
EP-0368094-B1 IMPACT-RESISTANT PROTECTION METHACRYLATE LAYER CONTAINING A UV ABSORBER FOR POLYCARBONATE RÖHM GMBH (DE) 1992-05-06 — — EP disclosed
EP-0372213-A1 Protective methycrylate layer for polycarbonate, containing a UV absorber RÖHM GMBH (DE) 1990-06-13 — — EP 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-20030195201-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 AKR1C3 2063/4885CYP1A2 2099/4885MPL 1953/4885
US-20050227986-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 AKR1C3 2138/4885CYP1A2 2153/4885MPL 1845/4885
US-11020333-B2 Organic compounds C5, CBR3, C1S AKR1C3 11/4885CYP1A2 27/4885MPL 4799/4885

“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.