SCHEMBL6446911

SCHEMBL6446911

Cc1ccc(C(O)C(C)N)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.64
LMNA P02545 4/20 0.64
HIF1A Q16665 3/20 0.64
ADRA2A P08913 1/20 0.64
ADRA2C P18825 1/20 0.64
ALDH1A1 P00352 1/20 0.61
TDP1 Q9NUW8 5/20 0.55
RECQL P46063 4/20 0.55
MAPT P10636 3/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
NFKB1 P19838 1/20 0.55
THPO P40225 1/20 0.55
HSD17B10 Q99714 1/20 0.55
POLB P06746 1/20 0.55
APEX1 P27695 1/20 0.55
MTOR P42345 1/20 0.55
BLM P54132 1/20 0.55
KMT2A Q03164 1/20 0.55
ADRB1 P08588 1/20 0.48

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
SCHEMBL18660840 1.00 KDM4E (0.64) KDM4ELMNAHIF1AADRA2AADRA2C
SCHEMBL22520707 1.00 KDM4E (0.64) KDM4ELMNAHIF1AADRA2AADRA2C
SCHEMBL11413464 1.00 KDM4E (0.64) KDM4ELMNAHIF1AADRA2AADRA2C
SCHEMBL18660706 1.00 KDM4E (0.64) KDM4ELMNAHIF1AADRA2AADRA2C
SCHEMBL13896749 1.00 KDM4E (0.64) KDM4ELMNAHIF1AADRA2AADRA2C
SCHEMBL18660867 1.00 KDM4E (0.64) KDM4ELMNAHIF1AADRA2AADRA2C
SCHEMBL11938483 0.82 CHRNA7 (0.55) KDM4ELMNAHIF1AADRA2AADRA2C
SCHEMBL11938485 0.82 CHRNA7 (0.55) KDM4ELMNAHIF1AADRA2AADRA2C
SCHEMBL3693273 0.82 CHRNA7 (0.55) KDM4ELMNAHIF1AADRA2AADRA2C
SCHEMBL2252628 0.81 KDM4E (0.64) KDM4ELMNAHIF1AADRA2AADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108368094-B Non-steroidal glucocorticoid receptor modulators for topical drug delivery 利奥制药有限公司 2021-07-02 CN disclosed
EP-3350175-B1 NON-STEROIDAL GLUCOCORTICOID RECEPTOR MODULATORS FOR LOCAL DRUG DELIVERY LEO PHARMA AS (DK) 2019-11-06 EP disclosed
EP-3350175-B1 NON-STEROIDAL GLUCOCORTICOID RECEPTOR MODULATORS FOR LOCAL DRUG DELIVERY LEO PHARMA AS (DK) 2019-11-06 EP disclosed
US-20180258080-A1 NON-STEROIDAL GLUCOCORTICOID RECEPTOR MODULATORS FOR LOCAL DRUG DELIVERY LEO PHARMA A/S (DK) 2018-09-13 US disclosed
US-20170266326-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2017-09-21 US disclosed
WO-2017046096-A1 NON-STEROIDAL GLUCOCORTICOID RECEPTOR MODULATORS FOR LOCAL DRUG DELIVERY LEO PHARMA A/S (DK) 2017-03-23 WO disclosed
US-6894190-B2 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-17 US disclosed
US-20030232886-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED 2003-12-18 US disclosed
US-6653507-B2 Useful intermediate compound of pharmaceuticals for urinary incontinence SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-11-25 US disclosed
US-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED 2002-10-03 US disclosed
US-6403832-B1 MIXING ACID WITH AMINE, PRECIPITATING SALT, AND FILTERING; GOOD OPTICAL PURITY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-11 US disclosed
EP-1074539-A2 Process for producing optically active 3,3,3,-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-07 EP disclosed
US-4226803-A Process for production of optically active bases DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1980-10-07 US disclosed
US-4191777-A Maleic acid halfamides having blood pressure raising activity DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1980-03-04 US 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-20170266326-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 KDM4E 3637/4885LMNA 1311/4885HIF1A 280/4885
US-20030232886-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, CYP8B1, CYP11B2 KDM4E 3102/4885LMNA 1166/4885HIF1A 3224/4885
US-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, ALDH7A1, ALDH18A1 KDM4E 2234/4885LMNA 1926/4885HIF1A 3167/4885
US-20180258080-A1 NON-STEROIDAL GLUCOCORTICOID RECEPTOR MODULATORS FOR LOCAL DRUG DELIVERY NR3C1, MC2R, NR3C2 KDM4E 4253/4885LMNA 2462/4885HIF1A 2610/4885

“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.