SCHEMBL19786044

SCHEMBL19786044

Cc1c(C(=O)O)cc(C(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.51
CASP6 P55212 1/20 0.40
DTYMK P23919 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
TPMT P51580 1/20 0.37
PKM P14618 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
POLB P06746 1/20 0.37
GLA P06280 1/20 0.37
CYP1A2 P05177 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 1/20 0.36
GPR35 Q9HC97 1/20 0.36
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
AKR1B10 O60218 1/20 0.36
AKR1B1 P15121 1/20 0.36
AKR1C4 P17516 1/20 0.36

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
SCHEMBL19786043 0.85 PDGFRB (0.46) TSHRL3MBTL1TDP1POLBGLA
SCHEMBL29613588 0.85 PDGFRB (0.46) TSHRL3MBTL1TDP1POLBGLA
SCHEMBL31451583 0.82 TSHR (0.56) TSHRCASP6DTYMKL3MBTL1TDP1
SCHEMBL2041245 0.82 TSHR (0.56) TSHRCASP6DTYMKL3MBTL1TDP1
SCHEMBL27754203 0.81 KDM4E (0.44) TDP1TPMTGPR35
SCHEMBL6830067 0.78 TSHR (0.59) TSHRCASP6DTYMKL3MBTL1TDP1
SCHEMBL31562092 0.78 CASP6 (0.46) TSHRCASP6DTYMKTDP1CES2
SCHEMBL394667 0.77 TSHR (0.57) TSHRL3MBTL1TDP1POLBCYP1A2
SCHEMBL29697071 0.77 TSHR (0.57) TSHRL3MBTL1TDP1POLBCYP1A2
SCHEMBL13280610 0.77 TSHR (0.57) TSHRCASP6DTYMKL3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109476653-B Heteroaromatic modulators of retinoid-related orphan receptor gamma 利奥制药有限公司 2022-04-22 CN disclosed
US-10934282-B2 Heteroaromatic modulators of the retinoid-related orphan receptor gamma LEO PHARMA A/S (DK) 2021-03-02 US disclosed
US-20200291010-A1 HETEROAROMATIC MDOULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA LEO PHARMA A/S 2020-09-17 US disclosed
EP-3484880-B1 HETEROAROMATIC MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA LEO PHARMA AS (DK) 2020-09-02 EP disclosed
US-10662181-B2 Heteroaromatic modulators of the retinoid-related orphan receptor gamma LEO PHARMA A/S (DK) 2020-05-26 US disclosed
US-20190284177-A1 HETEROAROMATIC MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA LEO PHARMA A/S (DK) 2019-09-19 US disclosed
WO-2018011201-A1 HETEROAROMATIC MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA LEO PHARMA A/S (DK) 2018-01-18 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 (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-20200291010-A1 HETEROAROMATIC MDOULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA RXRA, RORA, NR1H3 TSHR 103/4885CASP6 3425/4885DTYMK 1712/4885
US-10934282-B2 Heteroaromatic modulators of the retinoid-related orphan receptor gamma RXRA, RXRG, RXRB TSHR 78/4885CASP6 3791/4885DTYMK 3221/4885
US-10662181-B2 Heteroaromatic modulators of the retinoid-related orphan receptor gamma RXRA, RXRG, RXRB TSHR 78/4885CASP6 3791/4885DTYMK 3221/4885
US-20190284177-A1 HETEROAROMATIC MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA RXRA, RXRG, RXRB TSHR 78/4885CASP6 3791/4885DTYMK 3221/4885

“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.