SCHEMBL17269618

SCHEMBL17269618

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 3/20 0.61
▸ CA12 O43570 2/20 0.61
▸ AKR1B10 O60218 2/20 0.61
▸ CA1 P00915 2/20 0.61
▸ CA2 P00918 2/20 0.61
▸ ESR1 P03372 2/20 0.61
▸ CA3 P07451 2/20 0.61
▸ AKR1B1 P15121 2/20 0.61
▸ CA4 P22748 2/20 0.61
▸ CA6 P23280 2/20 0.61
▸ DPP4 P27487 2/20 0.61
▸ CA5A P35218 2/20 0.61
▸ CA7 P43166 2/20 0.61
▸ CA9 Q16790 2/20 0.61
▸ ESR2 Q92731 2/20 0.61
▸ CA14 Q9ULX7 2/20 0.61
▸ CA5B Q9Y2D0 2/20 0.61
▸ PKM P14618 1/20 0.61
▸ TYR P14679 1/20 0.61
▸ HDAC3 O15379 2/20 0.59

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
SCHEMBL10536049 1.00 HCAR2 (0.61) HCAR2CA12AKR1B10CA1CA2
Cinnamic Acid SCHEMBL28207108 0.88 HCAR2 (0.73) HCAR2CA12AKR1B10CA1CA2
Cinnamic Acid SCHEMBL28207107 0.88 HCAR2 (0.73) HCAR2CA12AKR1B10CA1CA2
SCHEMBL11833367 0.84 CYP2C19 (0.58) CA1CA2HDAC1HDAC6HSD17B10
SCHEMBL11833372 0.84 CYP2C19 (0.58) CA1CA2HDAC1HDAC6HSD17B10
SCHEMBL68395 0.84 HCAR2 (0.81) HCAR2CA12AKR1B10CA1CA2
SCHEMBL713717 0.84 HCAR2 (0.81) HCAR2CA12AKR1B10CA1CA2
SCHEMBL14081549 0.84 HCAR2 (0.81) HCAR2CA12AKR1B10CA1CA2
SCHEMBL16024192 0.83 SRD5A2 (0.71) HCAR2CA12AKR1B10CA1CA2
SCHEMBL70240 0.83 HCAR2 (0.65) HCAR2CA12AKR1B10CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107074806-B HSP70 modulators and methods of making and using the same 纪念斯隆-凯特琳癌症中心 2021-04-23 — — CN disclosed
US-10647683-B2 Hsp70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2020-05-12 — — US disclosed
US-10647683-B2 Hsp70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2020-05-12 — — US disclosed
US-20190241526-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2019-08-08 — — US disclosed
US-20190241526-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2019-08-08 — — US disclosed
US-10160729-B2 Hsp70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2018-12-25 — — US disclosed
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2018-06-21 — — US disclosed
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2018-06-21 — — US disclosed
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2018-06-21 — — US disclosed
US-9878987-B2 HSP70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2018-01-30 — — US disclosed
US-9878987-B2 HSP70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2018-01-30 — — US disclosed
US-9878987-B2 HSP70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2018-01-30 — — US disclosed
CN-107074806-A HSP70 modulators and methods of making and using the same 纪念斯隆-凯特琳癌症中心 2017-08-18 — — CN disclosed
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2017-08-17 — — US disclosed
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2017-08-17 — — US disclosed
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2017-08-17 — — US disclosed
WO-2015175707-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2015-11-19 — — 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 (5 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-20190241526-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 HCAR2 1327/4885CA12 1814/4885AKR1B10 837/4885
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 HCAR2 1327/4885CA12 1814/4885AKR1B10 837/4885
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 HCAR2 981/4885CA12 1991/4885AKR1B10 708/4885
US-10647683-B2 Hsp70 modulators and methods for making and using the same HSPA2, HSP90AA1, HSP90AB1 HCAR2 1327/4885CA12 1814/4885AKR1B10 837/4885
US-10160729-B2 Hsp70 modulators and methods for making and using the same HSPA2, HSP90AA1, HSP90AB1 HCAR2 1327/4885CA12 1814/4885AKR1B10 837/4885

“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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