SCHEMBL229063

SCHEMBL229063

CC(=O)Oc1ccc(C(=O)O)cc1F

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.71
ALDH1A1 P00352 4/20 0.71
KDM4E B2RXH2 4/20 0.71
RAB9A P51151 2/20 0.71
GAA P10253 2/20 0.71
LMNA P02545 2/20 0.69
HTT P42858 2/20 0.69
MAPK1 P28482 1/20 0.69
CFD P00746 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA7 P43166 1/20 0.50
TPMT P51580 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
PKM P14618 1/20 0.48
HSD17B10 Q99714 4/20 0.47

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
SCHEMBL6848357 0.86 ALDH1A1 (0.71) TSHRALDH1A1KDM4ERAB9AGAA
SCHEMBL230029 0.84 RAB9A (0.50) TSHRALDH1A1KDM4ERAB9AGAA
SCHEMBL640263 0.83 TSHR (1.00) TSHRALDH1A1KDM4ERAB9AGAA
SCHEMBL30154503 0.83 TSHR (1.00) TSHRALDH1A1KDM4ERAB9AGAA
SCHEMBL1147026 0.83 MAPT (0.53) TSHRALDH1A1KDM4ERAB9AGAA
SCHEMBL8451093 0.83 HTT (0.70) TSHRALDH1A1KDM4ERAB9AGAA
SCHEMBL10541988 0.81 TSHR (0.96) TSHRALDH1A1KDM4ERAB9AGAA
Hydrochloric Acid SCHEMBL9650466 0.81 TSHR (0.96) TSHRALDH1A1KDM4ERAB9AGAA
SCHEMBL31493230 0.81 HTT (1.00) TSHRALDH1A1KDM4ERAB9AGAA
SCHEMBL503994 0.81 HTT (1.00) TSHRALDH1A1KDM4ERAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2874632-B1 TRIAZINE COMPOUND HAVING PI3K-ALPHA AND MTOR INHIBITING ACTIVITY SPHAERA PHARMA PTE LTD (SG) 2020-06-17 EP disclosed
US-10329266-B2 Protease inhibitors MEDIVIR AB (SE) 2019-06-25 US disclosed
US-20180327371-A1 PROTEASE INHIBITORS MEDIVIR AB (SE) 2018-11-15 US disclosed
US-20170334867-A1 PROTEASE INHIBITORS MEDIVIR AB (SE) 2017-11-23 US disclosed
US-9630958-B2 Triazine compounds SPHAERA PHARMA PTE. LTD. (SG) 2017-04-25 US disclosed
US-20150197515-A1 NOVEL TRIAZINE COMPOUNDS SPHAERA PHARMA PTE. LTD. (SG) 2015-07-16 US disclosed
EP-1577288-B1 Selective estrogen receptor modulators EISAI R&D MAN CO LTD (JP) 2014-07-23 EP disclosed
WO-2014016849-A9 NOVEL TRIAZINE COMPOUNDS SPHAERA PHARMA PTE. LTD. (SG) 2014-03-13 WO disclosed
EP-2331548-B1 PROTEASE INHIBITORS MEDIVIR AB (SE) 2013-09-04 EP disclosed
US-8399520-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-19 US disclosed
EP-0737733-A1 Liquid crystal compound having ferrielectric phase and liquid crystal composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1996-10-16 EP disclosed
EP-0718274-A1 Two-rings-containing phenyl ester compound and anti-ferroelectric liquid crystal composition containing the same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1996-06-26 EP disclosed
EP-0559088-B1 Dioxane type liquid crystal substance MITSUBISHI GAS CHEMICAL CO (JP) 1996-05-15 EP disclosed
US-5482651-A ANTIFERROELECTRIC MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1996-01-09 US disclosed
EP-0418922-B1 Mesomorphic compound, liquid crystal composition containing same and liquid crystal device using same CANON KK (JP) 1995-04-12 EP disclosed
US-5364560-A Liquid crystal compound and liquid crystal display device MITSUBISHI GAS CHEMICAL CO., INC. (JP) 1994-11-15 US disclosed
EP-0559088-A1 Dioxane type liquid crystal substance MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1993-09-08 EP disclosed
US-5200109-A 4-substituted-3-fluorophenyl-thiadiazole derivatives; high speed responsiveness, heat resistance, displaying CANON KABUSHIKI KAISHA (JP) 1993-04-06 US disclosed
EP-0497297-A2 Liquid crystal compound and liquid crystal display device MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1992-08-05 EP disclosed
EP-0418922-A2 Mesomorphic compound, liquid crystal composition containing same and liquid crystal device using same CANON KABUSHIKI KAISHA (JP) 1991-03-27 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 (4 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-10329266-B2 Protease inhibitors CTSK, CTSF, CTSS TSHR 1000/4885ALDH1A1 3140/4885KDM4E 3773/4885
US-20170334867-A1 PROTEASE INHIBITORS CTSK, MMP26, MMP3 TSHR 1092/4885ALDH1A1 3144/4885KDM4E 3966/4885
US-20180327371-A1 PROTEASE INHIBITORS CTSK, CTSF, CTSS TSHR 1000/4885ALDH1A1 3140/4885KDM4E 3773/4885
US-20150197515-A1 NOVEL TRIAZINE COMPOUNDS MTOR, PIK3R5, PIK3R2 TSHR 3086/4885ALDH1A1 3488/4885KDM4E 1778/4885

“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.