SCHEMBL2543398

SCHEMBL2543398

Cc1cc(C(=O)O)ccc1OC(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
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
TSHR P16473 5/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
MYC P01106 1/20 0.49
ESR1 P03372 1/20 0.49
ALOX15 P16050 1/20 0.49
PTPN7 P35236 1/20 0.49
HSD17B10 Q99714 1/20 0.49
RXRA P19793 2/20 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
Hydrochloric Acid SCHEMBL2536673 0.98 KMT2A (0.53) KMT2ACA12CA1CA2CA4
SCHEMBL27949094 0.87 TSHR (0.48) KMT2ATSHRHTR2AHTR2CHTR2B
SCHEMBL10762377 0.86 ALDH1A1 (0.57) KMT2ATSHRHTR2AHTR2CHTR2B
SCHEMBL2536664 0.86 KMT2A (0.55) KMT2ACA12CA1CA2CA4
SCHEMBL30628216 0.86 ALDH1A1 (0.57) KMT2ATSHRHTR2AHTR2CHTR2B
SCHEMBL28288812 0.86 CA12 (0.50) KMT2ACA12CA1CA2CA4
SCHEMBL3545163 0.85 KMT2A (0.58) KMT2ACA12CA1CA2CA4
SCHEMBL17020098 0.84 HTT (0.49) KMT2ACA12CA1CA2CA4
SCHEMBL16605596 0.84 PARP10 (0.56) KMT2ATSHRHTR2AHTR2CHTR2B
SCHEMBL2536671 0.84 TSHR (0.47) KMT2ATSHRHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11192886-B2 S1P1 agonist and application thereof MEDSHINE DISCOVERY INC. (CN) 2021-12-07 US disclosed
CN-109956912-B Carboxylic acid compound containing diphenyl oxadiazole, preparation method and medical application thereof 中国医学科学院药物研究所 2021-10-22 CN disclosed
US-10385070-B2 Chroman-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-08-20 US disclosed
US-10385070-B2 Chroman-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-08-20 US disclosed
CN-105473554-B Condensed piperidine amide as ion channel modulators 沃泰克斯药物股份有限公司 2019-08-13 CN disclosed
CN-109956912-A Carboxylic acid compound, preparation method and the medical usage of the oxadiazoles containing diphenyl 中国医学科学院药物研究所 2019-07-02 CN disclosed
US-10233191-B2 Fused piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-03-19 US disclosed
EP-2675812-B1 CHROMAN - SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2017-08-30 EP disclosed
EP-2675812-B1 CHROMAN - SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2017-08-30 EP disclosed
US-20170145011-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMA (US) 2017-05-25 US disclosed
US-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2011-09-22 US disclosed
US-20100087495-A1 PHENYL DERIVATIVES AND THEIR USE AS IMMUNOMODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2010-04-08 US disclosed
US-20100087495-A1 PHENYL DERIVATIVES AND THEIR USE AS IMMUNOMODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2010-04-08 US disclosed
US-20100087495-A1 PHENYL DERIVATIVES AND THEIR USE AS IMMUNOMODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2010-04-08 US disclosed
CN-101619057-A N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARM INC 2010-01-06 CN disclosed
CN-101522645-A Phenyl derivatives and their use as immunomodulators ACTELION PHARMACEUTICALS LTD (CH) 2009-09-02 CN disclosed
CN-100509804-C N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARM INC (US) 2009-07-08 CN disclosed
EP-2069318-A1 PHENYL DERIVATIVES AND THEIR USE AS IMMUNOMODULATORS Actelion Pharmaceuticals Ltd. (CH) 2009-06-17 EP disclosed
WO-2008035239-A1 PHENYL DERIVATIVES AND THEIR USE AS IMMUNOMODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2008-03-27 WO disclosed
CN-1675201-A N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARM INC (US) 2005-09-28 CN 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 (6 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-20170145011-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels KCNJ2, KCNJ5, KCNJ1 KMT2A 2577/4885CA12 4097/4885CA1 1844/4885
US-11192886-B2 S1P1 agonist and application thereof S1PR1, S1PR2, S1PR3 KMT2A 3072/4885CA12 3842/4885CA1 3821/4885
US-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, CCR1 KMT2A 2928/4885CA12 4227/4885CA1 3678/4885
US-10233191-B2 Fused piperidine amides as modulators of ion channels TRPV1, TRPA1, KCNJ2 KMT2A 1347/4885CA12 4567/4885CA1 1822/4885
US-10385070-B2 Chroman-spirocyclic piperidine amides as modulators of ion channels KCNJ2, KCNJ1, KCNC1 KMT2A 2130/4885CA12 4263/4885CA1 1622/4885
US-20100087495-A1 PHENYL DERIVATIVES AND THEIR USE AS IMMUNOMODULATORS IL2, CD47, CD74 KMT2A 2793/4885CA12 4671/4885CA1 4855/4885

“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.